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Thioethers

Organosulfur compounds that contain a carbon atom bonded to a sulfur atom that is bonded to a carbon atom in the following structure: C-S-C. Thioethers are considered the sulfur analog of the ether functional group.

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1

2-(Phenylthio)thiophene, 97+%

CAS: 16718-12-0 Molecular Formula: C10H8S2 Molecular Weight (g/mol): 192.29 MDL Number: MFCD00052141 InChI Key: JQTBWKNYWACCRU-UHFFFAOYSA-N PubChem CID: 2778915 IUPAC Name: 2-phenylsulfanylthiophene SMILES: S(C1=CC=CS1)C1=CC=CC=C1

PubChem CID 2778915
CAS 16718-12-0
Molecular Weight (g/mol) 192.29
MDL Number MFCD00052141
SMILES S(C1=CC=CS1)C1=CC=CC=C1
IUPAC Name 2-phenylsulfanylthiophene
InChI Key JQTBWKNYWACCRU-UHFFFAOYSA-N
Molecular Formula C10H8S2
2

(Benzylthio)acetone, 98%, Thermo Scientific Chemicals

CAS: 10230-69-0 Molecular Formula: C10H12OS Molecular Weight (g/mol): 180.265 MDL Number: MFCD00026241 InChI Key: OIEDQMIEPJIRFT-UHFFFAOYSA-N Synonym: 1-benzylthio acetone,1-benzylthio-2-propanone,benzylthio acetone,.alpha.-benzylthio acetone,1-benzylsulfanyl propan-2-one,1-phenylmethylthio acetone,1-benzylsulfanyl acetone,benzylthio-2-propanone,acmc-20ap9q,alpha-benzylthio acetone PubChem CID: 82472 IUPAC Name: 1-benzylsulfanylpropan-2-one SMILES: CC(=O)CSCC1=CC=CC=C1

PubChem CID 82472
CAS 10230-69-0
Molecular Weight (g/mol) 180.265
MDL Number MFCD00026241
SMILES CC(=O)CSCC1=CC=CC=C1
Synonym 1-benzylthio acetone,1-benzylthio-2-propanone,benzylthio acetone,.alpha.-benzylthio acetone,1-benzylsulfanyl propan-2-one,1-phenylmethylthio acetone,1-benzylsulfanyl acetone,benzylthio-2-propanone,acmc-20ap9q,alpha-benzylthio acetone
IUPAC Name 1-benzylsulfanylpropan-2-one
InChI Key OIEDQMIEPJIRFT-UHFFFAOYSA-N
Molecular Formula C10H12OS
3

2-(4-Chlorophenylthio)benzaldehyde, 98%

CAS: 107572-07-6 Molecular Formula: C13H9ClOS Molecular Weight (g/mol): 248.724 MDL Number: MFCD00051766 InChI Key: CQKLAEUCMKGSEQ-UHFFFAOYSA-N Synonym: 2-4-chlorophenylthio benzaldehyde,2-4-chlorophenyl thio benzaldehyde,2-4-chlorophenyl sulfanyl benzaldehyde,2-4-chlorophenyl sulfanylbenzaldehyde,benzaldehyde,2-4-chlorophenyl thio,acmc-20aopf,2-4-chlorophenyl sulphanyl benzaldehyde PubChem CID: 2778624 IUPAC Name: 2-(4-chlorophenyl)sulfanylbenzaldehyde SMILES: C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl

PubChem CID 2778624
CAS 107572-07-6
Molecular Weight (g/mol) 248.724
MDL Number MFCD00051766
SMILES C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl
Synonym 2-4-chlorophenylthio benzaldehyde,2-4-chlorophenyl thio benzaldehyde,2-4-chlorophenyl sulfanyl benzaldehyde,2-4-chlorophenyl sulfanylbenzaldehyde,benzaldehyde,2-4-chlorophenyl thio,acmc-20aopf,2-4-chlorophenyl sulphanyl benzaldehyde
IUPAC Name 2-(4-chlorophenyl)sulfanylbenzaldehyde
InChI Key CQKLAEUCMKGSEQ-UHFFFAOYSA-N
Molecular Formula C13H9ClOS
4

Dimethyl sulfide, 99+%

CAS: 75-18-3 Molecular Formula: C2H6S Molecular Weight (g/mol): 62.13 MDL Number: MFCD00008562 InChI Key: QMMFVYPAHWMCMS-UHFFFAOYSA-N Synonym: dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane PubChem CID: 1068 ChEBI: CHEBI:17437 SMILES: CSC

PubChem CID 1068
CAS 75-18-3
Molecular Weight (g/mol) 62.13
ChEBI CHEBI:17437
MDL Number MFCD00008562
SMILES CSC
Synonym dimethyl sulfide,methyl sulfide,methane, thiobis,dimethylsulfide,dimethylsulphide,methyl thioether,2-thiapropane,dimethyl sulphide,dimethyl thioether,methylthiomethane
InChI Key QMMFVYPAHWMCMS-UHFFFAOYSA-N
Molecular Formula C2H6S
5

4-(Methylthio)imidazole, 97%

CAS: 83553-60-0 Molecular Formula: C4H6N2S Molecular Weight (g/mol): 114.166 MDL Number: MFCD03844702 InChI Key: NLIJIXLRIYPOHM-UHFFFAOYSA-N Synonym: 4-methylthio-1h-imidazole,4-methylthio imidazole,5-methylthio-1h-imidazole,4-methylsulfanyl-1h-imidazole,pubchem14136,4-methylthio ;-1h-imidazole,5-methylsulfanyl-1h-imidazole,1h-imidazole,4-methylthio-9ci,1h-imidazole, 4-methylthio PubChem CID: 13084405 IUPAC Name: 5-methylsulfanyl-1H-imidazole SMILES: CSC1=CN=CN1

PubChem CID 13084405
CAS 83553-60-0
Molecular Weight (g/mol) 114.166
MDL Number MFCD03844702
SMILES CSC1=CN=CN1
Synonym 4-methylthio-1h-imidazole,4-methylthio imidazole,5-methylthio-1h-imidazole,4-methylsulfanyl-1h-imidazole,pubchem14136,4-methylthio ;-1h-imidazole,5-methylsulfanyl-1h-imidazole,1h-imidazole,4-methylthio-9ci,1h-imidazole, 4-methylthio
IUPAC Name 5-methylsulfanyl-1H-imidazole
InChI Key NLIJIXLRIYPOHM-UHFFFAOYSA-N
Molecular Formula C4H6N2S
6

2,2'-Thiodiethanethiol, tech. 85%

CAS: 3570-55-6 Molecular Formula: C4H10S3 Molecular Weight (g/mol): 154.30 MDL Number: MFCD00004893 InChI Key: KSJBMDCFYZKAFH-UHFFFAOYSA-N Synonym: 2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi PubChem CID: 77117 SMILES: SCCSCCS

PubChem CID 77117
CAS 3570-55-6
Molecular Weight (g/mol) 154.30
MDL Number MFCD00004893
SMILES SCCSCCS
Synonym 2,2'-thiodiethanethiol,bis 2-mercaptoethyl sulfide,2-mercaptoethyl sulfide,ethanethiol, 2,2'-thiobis,bis mercaptoethyl sulfide,3-thia-1,5-pentanedithiol,2-mercaptoethylsulfide,2,2'-dimercaptodiethyl sulfide,unii-oeu4azc07s,ethanethiol, 2,2'-thiodi
InChI Key KSJBMDCFYZKAFH-UHFFFAOYSA-N
Molecular Formula C4H10S3
7

Di-n-octyl sulfide, 97%

CAS: 2690-08-6 MDL Number: MFCD00009566

CAS 2690-08-6
MDL Number MFCD00009566
8

1-Methylthio-2-propanone, 98+%

CAS: 14109-72-9 Molecular Formula: C4H8OS Molecular Weight (g/mol): 104.17 MDL Number: MFCD00015325 InChI Key: UKFADLGENFFWHR-UHFFFAOYSA-N Synonym: 1-methylthio-2-propanone,methylthio acetone,2-thia-4-pentanone,unii-s6v0dw7bqa,1-methylsulfanyl propan-2-one,2-propanone, 1-methylthio,methylthio-2-propanone,acetonyl methyl sulfide,1-methylsulfanyl acetone,s6v0dw7bqa PubChem CID: 6430713 IUPAC Name: 1-methylsulfanylpropan-2-one SMILES: CSCC(C)=O

PubChem CID 6430713
CAS 14109-72-9
Molecular Weight (g/mol) 104.17
MDL Number MFCD00015325
SMILES CSCC(C)=O
Synonym 1-methylthio-2-propanone,methylthio acetone,2-thia-4-pentanone,unii-s6v0dw7bqa,1-methylsulfanyl propan-2-one,2-propanone, 1-methylthio,methylthio-2-propanone,acetonyl methyl sulfide,1-methylsulfanyl acetone,s6v0dw7bqa
IUPAC Name 1-methylsulfanylpropan-2-one
InChI Key UKFADLGENFFWHR-UHFFFAOYSA-N
Molecular Formula C4H8OS
9

Thiomorpholine, 98%

CAS: 123-90-0 Molecular Formula: C4H9NS Molecular Weight (g/mol): 103.183 MDL Number: MFCD00005974 InChI Key: BRNULMACUQOKMR-UHFFFAOYSA-N Synonym: thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine PubChem CID: 67164 ChEBI: CHEBI:36392 IUPAC Name: thiomorpholine SMILES: C1CSCCN1

PubChem CID 67164
CAS 123-90-0
Molecular Weight (g/mol) 103.183
ChEBI CHEBI:36392
MDL Number MFCD00005974
SMILES C1CSCCN1
Synonym thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine
IUPAC Name thiomorpholine
InChI Key BRNULMACUQOKMR-UHFFFAOYSA-N
Molecular Formula C4H9NS
10

(2-Benzimidazolylthio)acetic acid, 98%

CAS: 3042-00-0 Molecular Formula: C9H7N2O2S Molecular Weight (g/mol): 207.23 MDL Number: MFCD00022673 InChI Key: UYNVBLJQBCTRKV-UHFFFAOYSA-M Synonym: 2-benzimidazolythio acetic acid,2-benzimidazolylthio-acetic acid,2-benzimidazolylthio acetic acid,1h-benzoimidazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylthio acetic acid,2-1h-benzo d imidazol-2-yl thio acetic acid,2-1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylsulfanyl acetic acid,1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,2-benzimidazol-2-ylthioacetic acid PubChem CID: 137805 IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid SMILES: [O-]C(=O)CSC1=NC2=CC=CC=C2N1

PubChem CID 137805
CAS 3042-00-0
Molecular Weight (g/mol) 207.23
MDL Number MFCD00022673
SMILES [O-]C(=O)CSC1=NC2=CC=CC=C2N1
Synonym 2-benzimidazolythio acetic acid,2-benzimidazolylthio-acetic acid,2-benzimidazolylthio acetic acid,1h-benzoimidazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylthio acetic acid,2-1h-benzo d imidazol-2-yl thio acetic acid,2-1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,1h-benzimidazol-2-ylsulfanyl acetic acid,1h-1,3-benzodiazol-2-ylsulfanyl acetic acid,2-benzimidazol-2-ylthioacetic acid
IUPAC Name 2-(1H-benzimidazol-2-ylsulfanyl)acetic acid
InChI Key UYNVBLJQBCTRKV-UHFFFAOYSA-M
Molecular Formula C9H7N2O2S
11

(Methylthio)acetonitrile, 99%

CAS: 35120-10-6 Molecular Formula: C3H5NS Molecular Weight (g/mol): 87.14 MDL Number: MFCD00001925 InChI Key: ZRIGDBVSVFSVLL-UHFFFAOYSA-N Synonym: methylthio acetonitrile,methylthioacetonitrile,methylthio-acetonitrile,2-methylsulfanyl acetonitrile,acetonitrile, methylthio,ch3sch2cn,acmc-1afh2,methylsulfanyl acetonitrile #,inchi=1/c3h5ns/c1-5-3-2-4/h3h2,1h PubChem CID: 99295 IUPAC Name: 2-methylsulfanylacetonitrile SMILES: CSCC#N

PubChem CID 99295
CAS 35120-10-6
Molecular Weight (g/mol) 87.14
MDL Number MFCD00001925
SMILES CSCC#N
Synonym methylthio acetonitrile,methylthioacetonitrile,methylthio-acetonitrile,2-methylsulfanyl acetonitrile,acetonitrile, methylthio,ch3sch2cn,acmc-1afh2,methylsulfanyl acetonitrile #,inchi=1/c3h5ns/c1-5-3-2-4/h3h2,1h
IUPAC Name 2-methylsulfanylacetonitrile
InChI Key ZRIGDBVSVFSVLL-UHFFFAOYSA-N
Molecular Formula C3H5NS
12

tert-Butyl methyl sulfide, 98+%

CAS: 6163-64-0 Molecular Formula: C5H12S Molecular Weight (g/mol): 104.21 MDL Number: MFCD00008840 InChI Key: CJFVCTVYZFTORU-UHFFFAOYSA-N Synonym: tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx PubChem CID: 138679 IUPAC Name: 2-methyl-2-methylsulfanylpropane SMILES: CSC(C)(C)C

PubChem CID 138679
CAS 6163-64-0
Molecular Weight (g/mol) 104.21
MDL Number MFCD00008840
SMILES CSC(C)(C)C
Synonym tert-butyl methyl sulfide,propane, 2-methyl-2-methylthio,sulfide, tert-butyl methyl,methyl tert-butyl sulfide,3,3-dimethyl-2-thiabutane,2-methyl-2-methylsulfanyl propane,t-butyl methyl sulfide,methyl t-butyl sulfide,tert-butyl methyl sulfane,acmc-1b7tx
IUPAC Name 2-methyl-2-methylsulfanylpropane
InChI Key CJFVCTVYZFTORU-UHFFFAOYSA-N
Molecular Formula C5H12S
14

Thiomorpholine, 97%

CAS: 123-90-0 Molecular Formula: C4H9NS Molecular Weight (g/mol): 103.19 MDL Number: MFCD00005974 InChI Key: BRNULMACUQOKMR-UHFFFAOYSA-N Synonym: thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine PubChem CID: 67164 ChEBI: CHEBI:36392 IUPAC Name: thiomorpholine SMILES: C1CSCCN1

PubChem CID 67164
CAS 123-90-0
Molecular Weight (g/mol) 103.19
ChEBI CHEBI:36392
MDL Number MFCD00005974
SMILES C1CSCCN1
Synonym thiamorpholine,thiazolidinane,parathiazan,4-thiomorpholine,tetrahydro-1,4-thiazine,1,4-thiazane,1,4-thiazan,1-thia-4-azacyclohexane,unii-3a8r61g6qv,1,4-thiazaperhydroine
IUPAC Name thiomorpholine
InChI Key BRNULMACUQOKMR-UHFFFAOYSA-N
Molecular Formula C4H9NS
15

2-(Methylthio)-1,3-benzothiazol-6-amine, 97%, Thermo Scientific™

CAS: 25706-29-0 Molecular Formula: C8H8N2S2 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00086478 InChI Key: GYCJZSAIEMSFAV-UHFFFAOYSA-N PubChem CID: 274151 IUPAC Name: 2-methylsulfanyl-1,3-benzothiazol-6-amine SMILES: CSC1=NC2=CC=C(N)C=C2S1

PubChem CID 274151
CAS 25706-29-0
Molecular Weight (g/mol) 196.29
MDL Number MFCD00086478
SMILES CSC1=NC2=CC=C(N)C=C2S1
IUPAC Name 2-methylsulfanyl-1,3-benzothiazol-6-amine
InChI Key GYCJZSAIEMSFAV-UHFFFAOYSA-N
Molecular Formula C8H8N2S2