2-Thiophenemethanethiol

Base Information

• Chemical Name: 2-Thiophenemethanethiol
• CAS No.: 6258-63-5
• Molecular Formula: C5H6S2
• Molecular Weight: 130.235
• Hs Code.: 29349990
• European Community (EC) Number: 228-394-1
• UNII: 9JML279XS6
• DSSTox Substance ID: DTXSID40211618
• Nikkaji Number: J100.416F
• Wikidata: Q27272638
• Metabolomics Workbench ID: 45154
• ChEMBL ID: CHEMBL152603
• Mol file: 6258-63-5.mol

Synonyms:2-Thenylmercaptan;2-Thiophenemethanethiol;6258-63-5;Thenyl mercaptan;2-Thienylmethanethiol;thiophen-2-ylmethanethiol;2-(Mercaptomethyl)thiophene;Thiophene-2-methanethiol;2-thenylthiol;Thiophen-2-yl-methanethiol;(thiophen-2-yl)methanethiol;2-Thenyl mercaptan;2-thienylmethyl mercaptan;UNII-9JML279XS6;9JML279XS6;CHEMBL152603;EINECS 228-394-1;thenylmercaptan;MFCD00107135;2-Thiophenemethenethiol;2-thienylmethylmercaptan;2-thienyl methane thiol;SCHEMBL451481;DTXSID40211618;2-Thienylmethanethiol, AldrichCPR;BDBM50121957;AKOS015897365;BS-53366;1-(2-aminophenyl)-2-(4-pyridyl)ethanol;CS-0197334;FT-0613437;T2613;T72725;EN300-1289530;A833866;Q27272638

Chemical Property of 2-Thiophenemethanethiol

Chemical Property:

• Appearance/Colour: clear colourless to slightly yellow liquid
• Vapor Pressure: 0.463mmHg at 25°C
• Refractive Index: 1.602-1.604
• Boiling Point: 200.3 °C at 760 mmHg
• PKA: 9.48±0.10(Predicted)
• Flash Point: 74.9 °C
• PSA: 67.04000
• Density: 1.191 g/cm³
• LogP: 2.17790
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 129.99109254
• Heavy Atom Count: 7
• Complexity: 54

Purity/Quality:

97% ^*data from raw suppliers

2-Thiophenemethanethiol >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36-43-22
• Safety Statements: 24/25-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)CS

Technology Process of 2-Thiophenemethanethiol

There total 6 articles about 2-Thiophenemethanethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

2-Chloromethylthiophene (765-50-4) → (2-thienyl)methanethiol (6258-63-5)

Guidance literature:

DOI:10.1021/jo00094a062

Reference yield: 39.0%

2-thiophenemethanol (636-72-6) → (2-thienyl)methanethiol (6258-63-5)

Guidance literature:

With hydrogenchloride; thiourea; for 4h; Ambient temperature;

DOI:10.1021/jf00056a042

Reference yield:

2-thiophen-2-yl-thiazolidine-4-carboxylic acid (32451-19-7) → (2-thienyl)methanethiol (6258-63-5) + 2-thiophenylcarboxylic acid (527-72-0) + 1,2-bis(thiophen-2-ylmethyl)disulfane (119784-44-0) + 2-thiophenemethanol (636-72-6)

Guidance literature:

With baker's yeast; phosphate buffer; at 30 ℃; for 40h; pH=8.0; anaerobic;

DOI:10.1021/jf026198j

upstream raw materials:

2-Chloromethylthiophene

2-thiophenemethanol

2-thiophen-2-yl-thiazolidine-4-carboxylic acid

thiophene-2-carbaldehyde

Downstream raw materials:

1,2-bis(thiophen-2-ylmethyl)disulfane

2-(2-thenylthio)-5-trifluoromethylpyrimidine

1,3-diphenyl-5-(thiophen-2-ylmethylsulfanyl)-1H-pyrazole-4-carbaldehyde

C₁₂H₉NO₃S₂