Thioethers

n-Butyl sulfide, 99%, pure, ACROS Organics™

CAS: 544-40-1 Molecular Formula: C8H18S Molecular Weight (g/mol): 146.29 InChI Key: HTIRHQRTDBPHNZ-UHFFFAOYSA-N Synonym: dibutyl sulfide, butyl sulfide, n-butyl sulfide, butylthiobutane, di-n-butyl sulfide, butane, 1,1'-thiobis, butyl monosulfide, dibutyl thioether, thiononane-5, n-dibutyl sulfide PubChem CID: 11002 IUPAC Name: 1-butylsulfanylbutane SMILES: CCCCSCCCC

Alfa Aesar™ Tin arsenide, 99.999% (metals basis)

CAS: 39332-13-3 Molecular Formula: C8H10N4O2S Molecular Weight (g/mol): 226.254 MDL Number: MFCD00148646 InChI Key: OPKFIKAYNXEJQA-UHFFFAOYSA-N Synonym: 1,2-propanediol, 3-9h-purin-6-ylthio, 3-9h-purin-6-ylsulfanyl propane-1,2-diol, ncistruc1_000545, ncistruc2_000494, 1, 3-purin-6-ylthio, ax 3, 1, 3-1h-purin-6-ylthio, 6-2,3-dihydroxypropyl thiopurine, 3-9h-purin-6-ylthio-1,2-propanediol, 3-7h-purin-6-ylsulfanyl propane-1,2-diol PubChem CID: 3579846 IUPAC Name: 3-(7H-purin-6-ylsulfanyl)propane-1,2-diol SMILES: C1=NC2=C(N1)C(=NC=N2)SCC(CO)O

Alfa Aesar™ 2-(Methylthio)thiophene, 97%

CAS: 5780-36-9 Molecular Formula: C5H6S2 Molecular Weight (g/mol): 130.223 MDL Number: MFCD00052382 InChI Key: ZLSMPEVZXWDWEK-UHFFFAOYSA-N Synonym: 2-methylthio thiophene, thiophene, 2-methylthio, 2-methylsulfanyl thiophene, 2-methylthiothiophene, 2-mehtylthio thiophene, thiophene,2-methylthio, acmc-20aomi, 2-methylthio-thiophene, 2-methylmercaptothiophene, 2-methylsulfanyl thiophene # PubChem CID: 79844 IUPAC Name: 2-methylsulfanylthiophene SMILES: CSC1=CC=CS1

Imipenem monohydrate, 98%, Acros Organics™

CAS: 74431-23-5 Molecular Formula: C12H19N3O5S Molecular Weight (g/mol): 317.36 InChI Key: GSOSVVULSKVSLQ-JJVRHELESA-N PubChem CID: 5282372 ChEBI: CHEBI:51799 IUPAC Name: (5R,6S)-3-[2-(aminomethylideneamino)ethylsulfanyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate SMILES: CC(C1C2CC(=C(N2C1=O)C(=O)O)SCCN=CN)O.O

Ertapenem sodium, 85%, Acros Organics™

CAS: 153773-82-1 Molecular Formula: C22H24N3NaO7S Molecular Weight (g/mol): 497.5 InChI Key: ZXNAQFZBWUNWJM-HRXMHBOMSA-M Synonym: 1-azabicyclo 3.2.0 hept-2-ene-2-carboxylic acid, 3-3s,5s-5-3-ca rboxyphenyl amino carbonyl-3-pyrrolidinyl thio-6-1r-1-hydroxyethy l-4-methyl-7-oxo-, monosodium salt, 4r,5s,6s PubChem CID: 131675376 ChEBI: CHEBI:60070 IUPAC Name: sodium;(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl]-N-(3-carboxyphenyl)pyrrolidine-2-carboximidate SMILES: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=NC4=CC=CC(=C4)C(=O)O)[O-])C(=O)O)C(C)O.[Na+]

2-(Phenylthio)nicotinic acid, 97%, Maybridge

CAS: 35620-72-5 Molecular Formula: C12H9NO2S Molecular Weight (g/mol): 231.269 MDL Number: MFCD00052110 InChI Key: MGIDOIDQQMOYTH-UHFFFAOYSA-N Synonym: 2-phenylthio nicotinic acid, 2-phenylsulfanyl nicotinic acid, 2-phenylsulfanyl pyridine-3-carboxylic acid, 3-pyridinecarboxylicacid, 2-phenylthio, 3-pyridinecarboxylic acid, 2-phenylthio, 2-phenylthiopyridine-3-carboxylic acid, maybridge1_001786, 2-phenylthio-3-pyridinecarboxylic acid, 2-phenylthio pyridine-3-carboxylic acid PubChem CID: 725029 IUPAC Name: 2-phenylsulfanylpyridine-3-carboxylic acid SMILES: C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)O

Alfa Aesar™ 2-Phenylthiazolidine, 97%

CAS: 4569-82-8 Molecular Formula: C9H11NS Molecular Weight (g/mol): 165.254 MDL Number: MFCD00128238 InChI Key: NXOMVTLTYYYYPC-UHFFFAOYSA-N Synonym: 2-phenylthiazolidine, 2-phenyl-1,3-thiazolane, thiazolidine, 2-phenyl, phenyl-2 thiazolidine, phenyl-2 thiazolidine french, 2-phenyl-thiazolidine, 2-phenyltetrahydrothiazole, phenylthiazolane, phenylthiazolidin, 2-phenyl thiazolidine PubChem CID: 20706 IUPAC Name: 2-phenyl-1,3-thiazolidine SMILES: C1CSC(N1)C2=CC=CC=C2

4-[(4-chlorophenyl)thio]thiophene-3-carboxylic acid, 97%, Maybridge

CAS: 149609-86-9 Molecular Formula: C11H7ClO2S2 Molecular Weight (g/mol): 270.745 MDL Number: MFCD00052149 InChI Key: UKDSGGJQRSNTHC-UHFFFAOYSA-N Synonym: 4-4-chlorophenyl thio thiophene-3-carboxylic acid, 3-thiophenecarboxylicacid, 4-4-chlorophenyl thio, 4-4-chlorophenyl sulfanyl thiophene-3-carboxylic acid, 4-4-chlorophenyl sulfanylthiophene-3-carboxylic acid, maybridge3_003733, acmc-20n5rn, 4-4-chlorophenylsulfanyl thiophene-3-carboxylic acid, 4-4-chlorophenyl thio-3-thiophenecarboxylic acid, 4-4-chlorophenyl sulphanyl thiophene-3-carboxylic acid PubChem CID: 2778946 IUPAC Name: 4-(4-chlorophenyl)sulfanylthiophene-3-carboxylic acid SMILES: C1=CC(=CC=C1SC2=CSC=C2C(=O)O)Cl

Alfa Aesar™ Cyclohexyl methyl sulfide, 97%

CAS: 7133-37-1 Molecular Formula: C7H14S Molecular Weight (g/mol): 130.249 MDL Number: MFCD00039460 InChI Key: QQBIOCGHCKNYGP-UHFFFAOYSA-N Synonym: cyclohexyl methyl sulfide, methylthio cyclohexane, sulfide, cyclohexyl methyl, cyclohexane, methylthio, methylthiocyclohexane, methylcyclohexylsulfide, cyclohexylmethylsulphide, cyclohexyl methylsulfide, methyl cyclohexyl sulfide, methylsulfanyl cyclohexane PubChem CID: 81553 IUPAC Name: methylsulfanylcyclohexane SMILES: CSC1CCCCC1

Alfa Aesar™ 3-Methylthio-1-propylamine, 97%

CAS: 4104-45-4 Molecular Formula: C4H11NS Molecular Weight (g/mol): 105.199 MDL Number: MFCD00041898 InChI Key: KKYSBGWCYXYOHA-UHFFFAOYSA-N Synonym: 3-methylthiopropylamine, 3-methylthio propylamine, 1-propanamine, 3-methylthio, 3-methylthiopropanamine, methylmercaptopropylamine, unii-1iap0cgd5s, 3-methylmercaptopropylamine, 3-methylthio-1-propanamine, 3-methylsulfanyl propan-1-amine, 1iap0cgd5s PubChem CID: 77743 ChEBI: CHEBI:16696 IUPAC Name: 3-methylsulfanylpropan-1-amine SMILES: CSCCCN

1,3-Dihydrothieno[3,4-b]quinoxaline, 97%, Alfa Aesar™

CAS: 3138-80-5 Molecular Formula: C10H8N2S Molecular Weight (g/mol): 188.248 MDL Number: MFCD22683025 InChI Key: OSKBIJDQSJQRQK-UHFFFAOYSA-N Synonym: 1,3-dihydrothieno 3,4-b quinoxaline, thieno 3,4-b quinoxaline, 1,3-dihydro, 1h,3h-thieno 3,4-b quinoxaline PubChem CID: 11095365 IUPAC Name: 1,3-dihydrothieno[3,4-b]quinoxaline SMILES: C1C2=NC3=CC=CC=C3N=C2CS1

Alfa Aesar™ 2-(Benzylthio)ethanol, 98%

CAS: 26524-88-9 Molecular Formula: C9H12OS Molecular Weight (g/mol): 168.254 MDL Number: MFCD00014039 InChI Key: ANMHSIXPUAKNLM-UHFFFAOYSA-N Synonym: 2-benzylthio ethanol, 2-hydroxyethyl benzyl sulfide, 2-benzylsulfanyl ethanol, 2-hydroxyethyl-benzyl sulphide, 2-benzylsulfanyl ethan-1-ol, 2-phenylmethylthio ethanol, 2-phenylmethylsulfanyl ethanol, 2-phenylmethylthio ethan-1-ol, 2-hydroxyethylbenzylsulfide, 2-benzylthioethanol PubChem CID: 77486 IUPAC Name: 2-benzylsulfanylethanol SMILES: C1=CC=C(C=C1)CSCCO

Alfa Aesar™ 3-(Methylthio)hexanol, 99%

CAS: 51755-66-9 Molecular Formula: C7H16OS Molecular Weight (g/mol): 148.264 MDL Number: MFCD00010674 InChI Key: JSASXSHMJYRPCM-UHFFFAOYSA-N Synonym: 3-methylthio-1-hexanol, 3-methylthio hexanol, 1-hexanol, 3-methylthio, 3-methylthio hexan-1-ol, 3-methylthiohexanol, 3-methylsulfanyl hexan-1-ol, r-3-methylthio-1-hexanol, 3-methylmercapto-1-hexanol, fema no. 3438 PubChem CID: 65413 IUPAC Name: 3-methylsulfanylhexan-1-ol SMILES: CCCC(CCO)SC

Alfa Aesar™ Ethyl 3-(methylthio)propionate, 98%

CAS: 13327-56-5 Molecular Formula: C6H12O2S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00039900 InChI Key: YSNWHRKJEKWJNY-UHFFFAOYSA-N Synonym: ethyl 3-methylthio propionate, ethyl 3-methylthio propanoate, ethyl 3-methylsulfanyl propanoate, propanoic acid, 3-methylthio-, ethyl ester, ethyl methyl mercaptopropionate, ethyl 3-methylmercaptopropionate, 3-methylthio propionic acid ethylester, 3-methylthio propanoic acid ethyl ester, unii-1avt374nii, ethyl methylthiopropanoate PubChem CID: 61592 ChEBI: CHEBI:87503 IUPAC Name: ethyl 3-methylsulfanylpropanoate SMILES: CCOC(=O)CCSC

Alfa Aesar™ Bis(methylthio)methane, 99%

CAS: 1618-26-4 Molecular Formula: C3H8S2 Molecular Weight (g/mol): 108.217 MDL Number: MFCD00008564 InChI Key: LOCDPORVFVOGCR-UHFFFAOYSA-N Synonym: bis methylthio methane, bis methylsulfanyl methane, 2,4-dithiapentane, methane, bis methylthio, bis methylmercapto methane, formaldehyde dimethyl mercaptal, methylenebis methyl sulfide, thioformaldehyde dimethylacetal, ch3sch2sch3 PubChem CID: 15380 IUPAC Name: bis(methylsulfanyl)methane SMILES: CSCSC

Alfa Aesar™ 2-(3-Pyridyl)thiazolidine-4-carboxylic acid, 97%

CAS: 59777-95-6 Molecular Formula: C9H10N2O2S Molecular Weight (g/mol): 210.251 MDL Number: MFCD01115161 InChI Key: FSNGLHIMQHWTNF-UHFFFAOYSA-N Synonym: 2-3-piridyl thiazolidine-4-carboxylic acid, 2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid, 2-3-pyridyl thiazolidine-4-carboxylic acid, 2-3-pyridyl thiazolidin-4-carboxylic acid, 2-3-pyridyl thiazolidine-4-caroxylic acid, 2-3-pyridinyl-4-thiazolidinecarboxylic acid, 2-pyridin-3-yl thiazolidine-4-carboxylic acid, 2-3-pyridyl-1,3-thiazolidine-4-carboxylic acid PubChem CID: 327593 IUPAC Name: 2-pyridin-3-yl-1,3-thiazolidine-4-carboxylic acid SMILES: C1C(NC(S1)C2=CN=CC=C2)C(=O)O

Thiomorpholine, 97%, ACROS Organics™

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

Alfa Aesar™ (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

Alfa Aesar™ Tetrahydrothiophen-3-one, 97%

CAS: 1003-04-9 Molecular Formula: C4H6OS Molecular Weight (g/mol): 102.151 MDL Number: MFCD00005412 InChI Key: DSXFPRKPFJRPIB-UHFFFAOYSA-N Synonym: tetrahydrothiophen-3-one, 3-thiophanone, dihydrothiophen-3 2h-one, dihydro-3 2h-thiophenone, 3-thiacyclopentanone, 3-oxotetrahydrothiophene, 3 2h-thiophenone, dihydro, 3-tetrahydrothiophenone, tetrahydrothiophene-3-one, 3-oxo-2,3,4,5-tetrahydrothiophene PubChem CID: 61252 IUPAC Name: thiolan-3-one SMILES: C1CSCC1=O

Alfa Aesar™ 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 IUPAC Name: methylsulfanylmethane SMILES: CSC

Alfa Aesar™ 3-(Methylthio)propyl mercaptoacetate, 98%

CAS: 852997-30-9 Molecular Formula: C6H12O2S2 Molecular Weight (g/mol): 180.28 MDL Number: MFCD19440668 InChI Key: CNFYMFGPHSETCO-UHFFFAOYSA-N Synonym: 3-methylthio propyl mercaptoacetate, unii-3ri9z9ir02, mercaptoacetic acid 3-methylthio propyl ester, fema no. 4561, acetic acid, mercapto-, 3-methylthio propyl ester, acetic acid, 2-mercapto-, 3-methylthio propyl ester, 3-methylsulfanyl propyl sulfanylacetate acetic acid, mercapto-,3-methylthio propyl ester, 3-methylsulfanyl propyl 2-sulfanylacetate PubChem CID: 46779104 IUPAC Name: 3-methylsulfanylpropyl 2-sulfanylacetate SMILES: CSCCCOC(=O)CS

Alfa Aesar™ 3-Methylthio-1-propanol, 98%

CAS: 505-10-2 Molecular Formula: C4H10OS Molecular Weight (g/mol): 106.183 MDL Number: MFCD00036560 InChI Key: CZUGFKJYCPYHHV-UHFFFAOYSA-N Synonym: methionol, 3-methylthiopropanol, 3-methylthio-1-propanol, 3-hydroxypropyl methyl sulfide, 3-methylthio propanol, 3-methylmercapto-1-propanol, 1-propanol, 3-methylthio, 3-methylsulfanyl propan-1-ol, gamma-methylmercaptopropyl alcohol PubChem CID: 10448 ChEBI: CHEBI:49019 IUPAC Name: 3-methylsulfanylpropan-1-ol SMILES: CSCCCO

Alfa Aesar™ 6,8-Dihydroxy-2-(methylthio)purine, 98%

CAS: 14443-37-9 Molecular Formula: C6H6N4O2S Molecular Weight (g/mol): 198.2 MDL Number: MFCD00022637 InChI Key: ABNKHLJAVYVWBF-UHFFFAOYSA-N Synonym: 6,8-dihydroxy-2-methylmercaptopurine, 2-methylsulfanyl-7,9-dihydro-3h-purine-6,8-dione, 2-methylthiopurine-6,8-diol, 2-methylsulfanyl-7h-purine-6,8-diol, acmc-20am0i, 6,8-dihydroxy-2-methylthio purine, 2-methylthio-7h-purine-6,8-diol, 6,8-dihydroxy-2-methylmercapto purine, 2-methylthio-1h-purine-6,8 7h,9h-dione PubChem CID: 229271 IUPAC Name: 2-methylsulfanyl-7,9-dihydro-3H-purine-6,8-dione SMILES: CSC1=NC(=O)C2=C(N1)NC(=O)N2

Alfa Aesar™ 2-(4-Chlorophenylthio)-6-fluorobenzonitrile, 97%

CAS: 175204-12-3 Molecular Formula: C13H7ClFNS Molecular Weight (g/mol): 263.714 MDL Number: MFCD00068208 InChI Key: KFJFXRCXNMCNBN-UHFFFAOYSA-N Synonym: 2-fluoro-6-4-chlorophenylthio benzonitrile, 2-4-chlorophenyl thio-6-fluorobenzonitrile, 2-4-chlorophenyl sulfanyl-6-fluorobenzonitrile, 2-4-chlorophenylthio-6-fluorobenzonitrile, 2-4-chlorophenylthio-6-fluorobenzenecarbonitrile, acmc-20anur, maybridge3_004320, 2-4-chlorophenylsulfanyl-6-fluorobenzonitrile PubChem CID: 2737296 IUPAC Name: 2-(4-chlorophenyl)sulfanyl-6-fluorobenzonitrile SMILES: C1=CC(=C(C(=C1)SC2=CC=C(C=C2)Cl)C#N)F

3,3'-Thiodipropionic acid, 99%, Acros Organics

CAS: 111-17-1 Molecular Formula: C6H10O4S Molecular Weight (g/mol): 178.2 MDL Number: MFCD00002781 InChI Key: ODJQKYXPKWQWNK-UHFFFAOYSA-N Synonym: 3,3'-thiodipropionic acid, thiodipropionic acid, propanoic acid, 3,3'-thiobis, bis 2-carboxyethyl sulfide, tyox a, thiodihydracrylic acid, 4-thiaheptanedioic acid, tdpa, sulfide, bis 2-carboxyethyl, 3,3'-thiodipropanoic acid PubChem CID: 8096 IUPAC Name: 3-(2-carboxyethylsulfanyl)propanoic acid SMILES: C(CSCCC(=O)O)C(=O)O

Alfa Aesar™ Tetrahydrothiophene, 98%

CAS: 110-01-0 Molecular Formula: C4H8S Molecular Weight (g/mol): 88.168 MDL Number: MFCD00005476 InChI Key: RAOIDOHSFRTOEL-UHFFFAOYSA-N Synonym: tetrahydrothiophene, thiophene, tetrahydro, thiophane, thiacyclopentane, tetramethylene sulfide, thilane, tetrahydrothiophen, pennodorant 1013, thiofan, thiolan PubChem CID: 1127 ChEBI: CHEBI:48458 IUPAC Name: thiolane SMILES: C1CCSC1

Alfa Aesar™ 2,2'-Thiodiethanethiol, 90+%

CAS: 3570-55-6 Molecular Formula: C4H10S3 Molecular Weight (g/mol): 154.304 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 IUPAC Name: 2-(2-sulfanylethylsulfanyl)ethanethiol SMILES: C(CSCCS)S

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