2-(Mercaptomethyl)benzenethiol

Base Information

• Chemical Name: 2-(Mercaptomethyl)benzenethiol
• CAS No.: 66324-13-8
• Molecular Formula: C7H8S2
• Molecular Weight: 156.273
• DSSTox Substance ID: DTXSID20413592
• Nikkaji Number: J1.078.021G
• Wikidata: Q82221826
• Mol file: 66324-13-8.mol

Synonyms:2-(mercaptomethyl)benzenethiol;66324-13-8;2-mercaptobenzyl thiol;SCHEMBL4005028;DTXSID20413592;KEVPOZNWOAVZCF-UHFFFAOYSA-N

Chemical Property of 2-(Mercaptomethyl)benzenethiol

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 156.00674260
• Heavy Atom Count: 9
• Complexity: 83

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CS)S

Technology Process of 2-(Mercaptomethyl)benzenethiol

There total 2 articles about 2-(Mercaptomethyl)benzenethiol 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:

3H-benzo-1,2-dithiole (272-21-9) → 2-(mercaptomethyl)thiophenol (66324-13-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jo00824a026

Reference yield:

3H-1,2-benzodithiol-3-one (1677-27-6) → 2-(mercaptomethyl)thiophenol (66324-13-8)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether; benzene;

Reference yield: 88.0%

2-(mercaptomethyl)thiophenol (66324-13-8) + methyltrioxorhenium(VII) (70197-13-6) → [CH3ReO(SC6H4CH2S)]2 (222734-84-1)

Guidance literature:

In toluene; byproducts: C6H4(CH2SS), H2O; excess dithiol, 0°C, 15 min; crystn. in freezer overnight;

DOI:10.1021/ic981367w

upstream raw materials:

3H-1,2-benzodithiol-3-one

3H-benzo-1,2-dithiole

Downstream raw materials:

1-(4-nitro-benzoylmercapto)-2-[(4-nitro-benzoylmercapto)-methyl]-benzene

2-(3-Chloroacetoxy-4-methoxyphenyl)-4H-1,3-benzodithiine

[CH₃ReO(SC₆H₄CH₂S)]2

[(1,2-bis(diphenylphosphino)ethane)(2-mercaptomethyl-benzenethiolate)nickel(II)]