Ethanethiol, 2-[(phenylmethyl)thio]-

Base Information

• Chemical Name: Ethanethiol, 2-[(phenylmethyl)thio]-
• CAS No.: 69078-70-2
• Molecular Formula: C9H12S2
• Molecular Weight: 184.326
• DSSTox Substance ID: DTXSID50477809

Synonyms:Ethanethiol, 2-[(phenylmethyl)thio]-;69078-70-2;SCHEMBL2464278;DTXSID50477809;AKOS018600175

Chemical Property of Ethanethiol, 2-[(phenylmethyl)thio]-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.03804273
• Heavy Atom Count: 11
• Complexity: 87.6

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSCCS

Technology Process of Ethanethiol, 2-[(phenylmethyl)thio]-

There total 7 articles about Ethanethiol, 2-[(phenylmethyl)thio]- 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:

(2-benzylsulfanylethylsulfanylcarbonimidoyl)ammoniumchloride → β-(benzylthio)ethylmercaptane (69078-70-2)

Guidance literature:

With sodium hydroxide; In water; at 100 ℃; for 0.75h;

Reference yield:

phenylmethanethiol (100-53-8) + 2-hydroxyethanethiol (60-24-2) → 2-(2-mercapto-ethylsulfanyl)-ethanol (98026-19-8) + β-(benzylthio)ethylmercaptane (69078-70-2)

Guidance literature:

With potassium carbonate; In water; at 120 ℃; for 1h; Microwave irradiation;

DOI:10.1039/c2ra22131d

Reference yield:

β-(benzylthio)ethyl tri-n-butyltin sulfide (73622-45-4) → β-(benzylthio)ethylmercaptane (69078-70-2)

Guidance literature:

With silica gel; In dichloromethane; pentane;

DOI:10.1021/jo01305a004

upstream raw materials:

thirane

phenylmethanethiol

β-(benzylthio)ethyl tri-n-butyltin sulfide

benzyl chloride

Downstream raw materials:

6,6-dimethyl-1-phenyl-2,5-dithiaheptane

1,7-dibenzylthio-4,4-dimethyl-3,5-dithiaheptane

4-(2-Benzylsulfanyl-ethylsulfanylmethyl)-2,2-dimethyl-[1,3]dioxolane

Ni(SCH₂CH₂SCH₂C₆H₅)2

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