Benzenesulfenyl chloride, 2,4,6-trimethyl-

Base Information

• Chemical Name: Benzenesulfenyl chloride, 2,4,6-trimethyl-
• CAS No.: 14575-12-3
• Molecular Formula: C9H11ClS
• Molecular Weight: 186.705
• DSSTox Substance ID: DTXSID20457916
• Nikkaji Number: J1.058.809J
• Wikidata: Q82280980
• Mol file: 14575-12-3.mol

Synonyms:Benzenesulfenyl chloride, 2,4,6-trimethyl-;14575-12-3;mesitylsulfenyl chloride;SCHEMBL2024568;DTXSID20457916;2,4,6-trimethylbenzenesulfenyl chloride

Chemical Property of Benzenesulfenyl chloride, 2,4,6-trimethyl-

Chemical Property:

• PSA: 25.30000
• LogP: 3.85770
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 186.0269992
• Heavy Atom Count: 11
• Complexity: 115

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)SCl)C

Technology Process of Benzenesulfenyl chloride, 2,4,6-trimethyl-

There total 2 articles about Benzenesulfenyl chloride, 2,4,6-trimethyl- 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:

mesitylthiol (1541-10-2) → 2-mesitylensulfenylchloride (14575-12-3)

Guidance literature:

With tetrachloromethane; chlorine;

DOI:10.1021/ja01119a070

Reference yield:

2,4,6-trimethylphenyl bromide (576-83-0) → 2-mesitylensulfenylchloride (14575-12-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) Mg, 2.) sulphur / 1.) ether

2: Cl₂ / CCl₄ / 0 °C

With chlorine; sulfur; magnesium; In tetrachloromethane;

Reference yield: 90.0%

2-mesitylensulfenylchloride (14575-12-3) + 1-chloro-2,4-dimethoxybenzene (7051-13-0) → C17H19ClO2S (77189-83-4)

Guidance literature:

In various solvent(s); for 1h; Ambient temperature;

DOI:10.1021/jo00326a040

upstream raw materials:

mesitylthiol

2,4,6-trimethylphenyl bromide

Downstream raw materials:

2,2',4,4',6,6'-hexamethyldiphenyl sulfide

C₁₆H₂₂ClNS

C₁₃H₁₈ClNS

Acetic acid 1-(2,4,6-trimethyl-phenylsulfanylmethyl)-allyl ester