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Heteroaromatic compounds

Organic compounds that contain one or more heterocycles that are aromatic; heterocycles are rings that contain atoms from two or more types of elements.

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1

Pyrido[3,2-d][1,3]thiazole-2-thiol, 97%, Thermo Scientific™

CAS: 57135-09-8 Molecular Formula: C6H4N2S2 Molecular Weight (g/mol): 168.232 MDL Number: MFCD00178760 InChI Key: WITYIAHCBUYCSY-UHFFFAOYSA-N Synonym: thiazolo 5,4-b pyridine-2 1h-thione,thiazolo 5,4-b pyridine-2-thiol,1,3 thiazolo 5,4-b pyridine-2-thiol,pyrido 3,2-d 1,3 thiazole-2-thiol,2-mercaptothiazolo 5,4-b pyridine,pyrido 3,2-d-1,3-thiazol-2-thiol,2-mercapto-1,3 thiazolo 5,4-b pyridine,2-sulphanyl-1,3 thiazolo 5,4-b pyridine,1h-1,3 thiazolo 5,4-b pyridine-2-thione,thiazolo 5,4-b pyridine-2-thione PubChem CID: 2782239 IUPAC Name: 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione SMILES: C1=CC2=C(N=C1)SC(=S)N2

PubChem CID 2782239
CAS 57135-09-8
Molecular Weight (g/mol) 168.232
MDL Number MFCD00178760
SMILES C1=CC2=C(N=C1)SC(=S)N2
Synonym thiazolo 5,4-b pyridine-2 1h-thione,thiazolo 5,4-b pyridine-2-thiol,1,3 thiazolo 5,4-b pyridine-2-thiol,pyrido 3,2-d 1,3 thiazole-2-thiol,2-mercaptothiazolo 5,4-b pyridine,pyrido 3,2-d-1,3-thiazol-2-thiol,2-mercapto-1,3 thiazolo 5,4-b pyridine,2-sulphanyl-1,3 thiazolo 5,4-b pyridine,1h-1,3 thiazolo 5,4-b pyridine-2-thione,thiazolo 5,4-b pyridine-2-thione
IUPAC Name 1H-[1,3]thiazolo[5,4-b]pyridine-2-thione
InChI Key WITYIAHCBUYCSY-UHFFFAOYSA-N
Molecular Formula C6H4N2S2
2

Purine, 97+%, Thermo Scientific Chemicals

CAS: 120-73-0 Molecular Formula: C5H4N4 Molecular Weight (g/mol): 120.115 MDL Number: MFCD00079221 InChI Key: KDCGOANMDULRCW-UHFFFAOYSA-N Synonym: purine,9h-purine,1h-purine,isopurine,beta-purine,7h-imidazo 4,5-d pyrimidine,imidazo 4,5-d pyrimidine,3,5,7-triazaindole,9h-purine van,3h-purine PubChem CID: 1044 ChEBI: CHEBI:17258 IUPAC Name: 7H-purine SMILES: C1=C2C(=NC=N1)N=CN2

PubChem CID 1044
CAS 120-73-0
Molecular Weight (g/mol) 120.115
ChEBI CHEBI:17258
MDL Number MFCD00079221
SMILES C1=C2C(=NC=N1)N=CN2
Synonym purine,9h-purine,1h-purine,isopurine,beta-purine,7h-imidazo 4,5-d pyrimidine,imidazo 4,5-d pyrimidine,3,5,7-triazaindole,9h-purine van,3h-purine
IUPAC Name 7H-purine
InChI Key KDCGOANMDULRCW-UHFFFAOYSA-N
Molecular Formula C5H4N4
3
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Purine, 99%

CAS: 120-73-0 MDL Number: MFCD00079221 InChI Key: KDCGOANMDULRCW-UHFFFAOYSA-N Synonym: purine,9h-purine,1h-purine,isopurine,beta-purine,7h-imidazo 4,5-d pyrimidine,imidazo 4,5-d pyrimidine,3,5,7-triazaindole,9h-purine van,3h-purine PubChem CID: 1044 ChEBI: CHEBI:17258 IUPAC Name: 7H-purine SMILES: C1=C2C(=NC=N1)N=CN2

PubChem CID 1044
CAS 120-73-0
ChEBI CHEBI:17258
MDL Number MFCD00079221
SMILES C1=C2C(=NC=N1)N=CN2
Synonym purine,9h-purine,1h-purine,isopurine,beta-purine,7h-imidazo 4,5-d pyrimidine,imidazo 4,5-d pyrimidine,3,5,7-triazaindole,9h-purine van,3h-purine
IUPAC Name 7H-purine
InChI Key KDCGOANMDULRCW-UHFFFAOYSA-N
4

Benzimidazole, 99%

CAS: 51-17-2 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005585 InChI Key: HYZJCKYKOHLVJF-UHFFFAOYSA-N Synonym: benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene PubChem CID: 5798 ChEBI: CHEBI:41275 SMILES: N1C=NC2=CC=CC=C12

PubChem CID 5798
CAS 51-17-2
Molecular Weight (g/mol) 118.14
ChEBI CHEBI:41275
MDL Number MFCD00005585
SMILES N1C=NC2=CC=CC=C12
Synonym benzimidazole,1h-benzo d imidazole,1,3-benzodiazole,benzoimidazole,o-benzimidazole,3-azaindole,benziminazole,benzoglyoxaline,azindole,1,3-diazaindene
InChI Key HYZJCKYKOHLVJF-UHFFFAOYSA-N
Molecular Formula C7H6N2
5

1,2-Benzisothiazol-3-one, 97%

CAS: 2634-33-5 Molecular Formula: C7H5NOS Molecular Weight (g/mol): 151.183 MDL Number: MFCD00127753 InChI Key: DMSMPAJRVJJAGA-UHFFFAOYSA-N Synonym: 1,2-benzisothiazol-3 2h-one,1,2-benzisothiazolin-3-one,benzisothiazolone,proxel,benzo d isothiazol-3 2h-one,1,2-benzisothiazoline-3-one,benzisothiazolinone,proxel pl,benzo d isothiazol-3-one,2,3-dihydro-1,2-benzothiazol-3-one PubChem CID: 17520 ChEBI: CHEBI:167099 IUPAC Name: 1,2-benzothiazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NS2

PubChem CID 17520
CAS 2634-33-5
Molecular Weight (g/mol) 151.183
ChEBI CHEBI:167099
MDL Number MFCD00127753
SMILES C1=CC=C2C(=C1)C(=O)NS2
Synonym 1,2-benzisothiazol-3 2h-one,1,2-benzisothiazolin-3-one,benzisothiazolone,proxel,benzo d isothiazol-3 2h-one,1,2-benzisothiazoline-3-one,benzisothiazolinone,proxel pl,benzo d isothiazol-3-one,2,3-dihydro-1,2-benzothiazol-3-one
IUPAC Name 1,2-benzothiazol-3-one
InChI Key DMSMPAJRVJJAGA-UHFFFAOYSA-N
Molecular Formula C7H5NOS
6

Benzimidazole-5,6-dicarboxylic acid, 97%

CAS: 10351-75-4 Molecular Formula: C9H6N2O4 Molecular Weight (g/mol): 206.16 MDL Number: MFCD03093058 InChI Key: PIPQOFRJDBZPFR-UHFFFAOYSA-N Synonym: benzimidazole-5,6-dicarboxylic acid,1h-benzo d imidazole-5,6-dicarboxylic acid,1h-1,3-benzodiazole-5,6-dicarboxylic acid,1h-benzoimidazole-5,6-dicarboxylic,1h-benzoimidazole-5,6-dicarboxylic acid,acmc-1bsyc,5,6-benzimidazoledicarboxylic acid,benzo d imidazole-5,6-dicarboxylic acid PubChem CID: 7023591 IUPAC Name: 1H-benzimidazole-5,6-dicarboxylic acid SMILES: OC(=O)C1=C(C=C2N=CNC2=C1)C(O)=O

PubChem CID 7023591
CAS 10351-75-4
Molecular Weight (g/mol) 206.16
MDL Number MFCD03093058
SMILES OC(=O)C1=C(C=C2N=CNC2=C1)C(O)=O
Synonym benzimidazole-5,6-dicarboxylic acid,1h-benzo d imidazole-5,6-dicarboxylic acid,1h-1,3-benzodiazole-5,6-dicarboxylic acid,1h-benzoimidazole-5,6-dicarboxylic,1h-benzoimidazole-5,6-dicarboxylic acid,acmc-1bsyc,5,6-benzimidazoledicarboxylic acid,benzo d imidazole-5,6-dicarboxylic acid
IUPAC Name 1H-benzimidazole-5,6-dicarboxylic acid
InChI Key PIPQOFRJDBZPFR-UHFFFAOYSA-N
Molecular Formula C9H6N2O4
7

Benzothiazole-6-carbonitrile, 98%

CAS: 58249-61-9 Molecular Formula: C8H4N2S Molecular Weight (g/mol): 160.194 MDL Number: MFCD06659656 InChI Key: WYRRTJKOMZONQO-UHFFFAOYSA-N Synonym: 6-cyanobenzothiazole,benzothiazole-6-carbonitrile,benzo d thiazole-6-carbonitrile,6-benzothiazolecarbonitrile,6-benzo d thiazolecarbonitrile,6-cyanobenzothiazol,6-cyanobenzthiazole,6-benzothiazolecarbonitrile 6ci,9ci PubChem CID: 10607144 IUPAC Name: 1,3-benzothiazole-6-carbonitrile SMILES: C1=CC2=C(C=C1C#N)SC=N2

PubChem CID 10607144
CAS 58249-61-9
Molecular Weight (g/mol) 160.194
MDL Number MFCD06659656
SMILES C1=CC2=C(C=C1C#N)SC=N2
Synonym 6-cyanobenzothiazole,benzothiazole-6-carbonitrile,benzo d thiazole-6-carbonitrile,6-benzothiazolecarbonitrile,6-benzo d thiazolecarbonitrile,6-cyanobenzothiazol,6-cyanobenzthiazole,6-benzothiazolecarbonitrile 6ci,9ci
IUPAC Name 1,3-benzothiazole-6-carbonitrile
InChI Key WYRRTJKOMZONQO-UHFFFAOYSA-N
Molecular Formula C8H4N2S
8

1,3-Benzothiazol-6-amine, 97+%, Thermo Scientific™

CAS: 533-30-2 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.199 InChI Key: FAYAYUOZWYJNBD-UHFFFAOYSA-N Synonym: 6-aminobenzothiazole,6-benzothiazolamine,benzo d thiazol-6-amine,6-amino-benzothiazole,benzothiazole, 6-amino,benzothiazol-6-amine,benzothiazol-6-ylamine,unii-9yfg4wuj1g,9yfg4wuj1g,1,3-benzothiazol-6-ylamine PubChem CID: 68288 IUPAC Name: 1,3-benzothiazol-6-amine SMILES: C1=CC2=C(C=C1N)SC=N2

PubChem CID 68288
CAS 533-30-2
Molecular Weight (g/mol) 150.199
SMILES C1=CC2=C(C=C1N)SC=N2
Synonym 6-aminobenzothiazole,6-benzothiazolamine,benzo d thiazol-6-amine,6-amino-benzothiazole,benzothiazole, 6-amino,benzothiazol-6-amine,benzothiazol-6-ylamine,unii-9yfg4wuj1g,9yfg4wuj1g,1,3-benzothiazol-6-ylamine
IUPAC Name 1,3-benzothiazol-6-amine
InChI Key FAYAYUOZWYJNBD-UHFFFAOYSA-N
Molecular Formula C7H6N2S
9

1,3-Benzothiazol-5-amine, 97%, Thermo Scientific™

CAS: 1123-93-9 Molecular Formula: C7H6N2S Molecular Weight (g/mol): 150.20 MDL Number: MFCD04115282 InChI Key: UJZYHMZRXGNDFB-UHFFFAOYSA-N Synonym: 5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole PubChem CID: 70749 IUPAC Name: 1,3-benzothiazol-5-amine SMILES: NC1=CC=C2SC=NC2=C1

PubChem CID 70749
CAS 1123-93-9
Molecular Weight (g/mol) 150.20
MDL Number MFCD04115282
SMILES NC1=CC=C2SC=NC2=C1
Synonym 5-benzothiazolamine,benzothiazol-5-ylamine,benzo d thiazol-5-amine,benzothiazol-5-amine,5-amino-1,3-benzothiazole,5-aminobenzothiazole,1,3-benzothiazole-5-amine,1,3-benzothiazol-5-ylamine,5-amino-1,3-benzothiazol,5-amino-benzothiazole
IUPAC Name 1,3-benzothiazol-5-amine
InChI Key UJZYHMZRXGNDFB-UHFFFAOYSA-N
Molecular Formula C7H6N2S
10
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5,6-Dimethylbenzimidazole, 99+%

CAS: 582-60-5 Molecular Formula: C9H10N2 Molecular Weight (g/mol): 146.19 MDL Number: MFCD00005603 InChI Key: LJUQGASMPRMWIW-UHFFFAOYSA-N Synonym: 5,6-dimethylbenzimidazole,dimedazol,dimedazole,dimesol,dimezol,5,6-dimethyl-1h-benzo d imidazole,dimethylbenzimidazole,1h-benzimidazole, 5,6-dimethyl,benzimidazole, 5,6-dimethyl,5.6-dimethylbenzimidazole PubChem CID: 675 ChEBI: CHEBI:15890 IUPAC Name: 5,6-dimethyl-1H-1,3-benzodiazole SMILES: CC1=C(C)C=C2N=CNC2=C1

PubChem CID 675
CAS 582-60-5
Molecular Weight (g/mol) 146.19
ChEBI CHEBI:15890
MDL Number MFCD00005603
SMILES CC1=C(C)C=C2N=CNC2=C1
Synonym 5,6-dimethylbenzimidazole,dimedazol,dimedazole,dimesol,dimezol,5,6-dimethyl-1h-benzo d imidazole,dimethylbenzimidazole,1h-benzimidazole, 5,6-dimethyl,benzimidazole, 5,6-dimethyl,5.6-dimethylbenzimidazole
IUPAC Name 5,6-dimethyl-1H-1,3-benzodiazole
InChI Key LJUQGASMPRMWIW-UHFFFAOYSA-N
Molecular Formula C9H10N2
11

Phthalazine, 98%

CAS: 253-52-1 Molecular Formula: C8H6N2 Molecular Weight (g/mol): 130.15 MDL Number: MFCD00006908 InChI Key: LFSXCDWNBUNEEM-UHFFFAOYSA-N Synonym: 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine PubChem CID: 9207 ChEBI: CHEBI:36597 IUPAC Name: phthalazine SMILES: C1=CC=C2C=NN=CC2=C1

PubChem CID 9207
CAS 253-52-1
Molecular Weight (g/mol) 130.15
ChEBI CHEBI:36597
MDL Number MFCD00006908
SMILES C1=CC=C2C=NN=CC2=C1
Synonym 2,3-benzodiazine,benzo d pyridazine,2,3-diazanaphthalene,beta-phenodiazine,.beta.-phenodiazine,unii-91y28dm24n,ccris 6894,phthalazin,benzo-orthodiazine
IUPAC Name phthalazine
InChI Key LFSXCDWNBUNEEM-UHFFFAOYSA-N
Molecular Formula C8H6N2
12

4,6-Dimethyldibenzothiophene, 97%

CAS: 1207-12-1 Molecular Formula: C14H12S Molecular Weight (g/mol): 212.31 MDL Number: MFCD00216264 InChI Key: KMPJENUWHPZRGZ-UHFFFAOYSA-N Synonym: dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene PubChem CID: 1268103 IUPAC Name: 4,6-dimethyldibenzothiophene SMILES: CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1

PubChem CID 1268103
CAS 1207-12-1
Molecular Weight (g/mol) 212.31
MDL Number MFCD00216264
SMILES CC1=CC2=C(SC3=C2C(C)=CC=C3)C=C1
Synonym dibenzothiophene, 4,6-dimethyl,4,6-dimethyldibenzo b,d thiophene,4,6-dmdbt,6,10-dimethyl-8-thiatricyclo 7.4.0.0 2 ,? trideca-1 9 ,2 7 ,3,5,10,12-hexaene,4,6-dimethyl-dibenzothiophen,ksc491i3n,bidd:gt0307,4,6-dimethyl dibenzo b thiophene,4,6-dimethyldibenzothiophene,4,6-dimethylbenzo b benzo b thiophene
IUPAC Name 4,6-dimethyldibenzothiophene
InChI Key KMPJENUWHPZRGZ-UHFFFAOYSA-N
Molecular Formula C14H12S
13

1H-Benzimidazole-2-carboxylic acid hydrate, 90%, Thermo Scientific™

CAS: 849776-47-2 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 InChI Key: YQHUUYLPOCNBKD-UHFFFAOYSA-N Synonym: 1h-benzo d imidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid monohydrate,benzimidazole-2-carboxylic acid monohydrate,1h-1,3-benzodiazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylicacid, hydrate 1:1,c8h6n2o2.h2o,2-carboxy-1h-benzimidazole hydrate,1h-benzimidazole-2-carboxylic acid-water 1/1 PubChem CID: 18525703 IUPAC Name: 1H-benzimidazole-2-carboxylic acid;hydrate SMILES: C1=CC=C2C(=C1)NC(=N2)C(=O)O.O

PubChem CID 18525703
CAS 849776-47-2
Molecular Weight (g/mol) 180.163
SMILES C1=CC=C2C(=C1)NC(=N2)C(=O)O.O
Synonym 1h-benzo d imidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylic acid monohydrate,benzimidazole-2-carboxylic acid monohydrate,1h-1,3-benzodiazole-2-carboxylic acid hydrate,1h-benzimidazole-2-carboxylicacid, hydrate 1:1,c8h6n2o2.h2o,2-carboxy-1h-benzimidazole hydrate,1h-benzimidazole-2-carboxylic acid-water 1/1
IUPAC Name 1H-benzimidazole-2-carboxylic acid;hydrate
InChI Key YQHUUYLPOCNBKD-UHFFFAOYSA-N
Molecular Formula C8H8N2O3
14

3-(1,3-Benzothiazol-2-yl)aniline, Thermo Scientific™

CAS: 41230-21-1 Molecular Formula: C13H10N2S Molecular Weight (g/mol): 226.297 InChI Key: MKMRZZJJDIBAJF-UHFFFAOYSA-N Synonym: 3-benzothiazol-2-yl-phenylamine,3-1,3-benzothiazol-2-yl aniline,3-benzothiazol-2-ylphenylamine,benzenamine,3-2-benzothiazolyl,cambridge id 5250055,3-2-benzothiazolyl aniline,3-benzothiazol-2-yl aniline,3-benzo d thiazol-2-yl aniline,3-benzothiazol-2-yl benzenamine,3-1,3-benzothiazol-2-yl phenyl amine PubChem CID: 720999 IUPAC Name: 3-(1,3-benzothiazol-2-yl)aniline SMILES: C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N

PubChem CID 720999
CAS 41230-21-1
Molecular Weight (g/mol) 226.297
SMILES C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)N
Synonym 3-benzothiazol-2-yl-phenylamine,3-1,3-benzothiazol-2-yl aniline,3-benzothiazol-2-ylphenylamine,benzenamine,3-2-benzothiazolyl,cambridge id 5250055,3-2-benzothiazolyl aniline,3-benzothiazol-2-yl aniline,3-benzo d thiazol-2-yl aniline,3-benzothiazol-2-yl benzenamine,3-1,3-benzothiazol-2-yl phenyl amine
IUPAC Name 3-(1,3-benzothiazol-2-yl)aniline
InChI Key MKMRZZJJDIBAJF-UHFFFAOYSA-N
Molecular Formula C13H10N2S
15

Dibenzothiophene, 98%

CAS: 132-65-0 Molecular Formula: C12H8S Molecular Weight (g/mol): 184.256 MDL Number: MFCD00004969 InChI Key: IYYZUPMFVPLQIF-UHFFFAOYSA-N Synonym: diphenylene sulfide,dibenzo b,d thiophene,9-thiafluorene,alpha-thiafluorene,2,2'-biphenylylene sulfide,usan,unii-z3d4aj1r48,1,1'-biphenyl-2,2'-diyl sulfide,.alpha.-thiafluorene PubChem CID: 3023 ChEBI: CHEBI:23681 IUPAC Name: dibenzothiophene SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2

PubChem CID 3023
CAS 132-65-0
Molecular Weight (g/mol) 184.256
ChEBI CHEBI:23681
MDL Number MFCD00004969
SMILES C1=CC=C2C(=C1)C3=CC=CC=C3S2
Synonym diphenylene sulfide,dibenzo b,d thiophene,9-thiafluorene,alpha-thiafluorene,2,2'-biphenylylene sulfide,usan,unii-z3d4aj1r48,1,1'-biphenyl-2,2'-diyl sulfide,.alpha.-thiafluorene
IUPAC Name dibenzothiophene
InChI Key IYYZUPMFVPLQIF-UHFFFAOYSA-N
Molecular Formula C12H8S