Benzenesulfenic acid

Base Information

• Chemical Name: Benzenesulfenic acid
• CAS No.: 27610-20-4
• Molecular Formula: C6H6 O S
• Molecular Weight: 126.179
• DSSTox Substance ID: DTXSID50182002
• Nikkaji Number: J2.406.368B
• Wikidata: Q27117296
• Metabolomics Workbench ID: 55706
• Mol file: 27610-20-4.mol

Synonyms:Benzenesulfenic acid;hydroxysulfanylbenzene;phenylsulfanol;27610-20-4;PhSOH;benzene-SO-thioperoxol;SCHEMBL152005;CHEBI:37866;DTXSID50182002;Q27117296

Chemical Property of Benzenesulfenic acid

Chemical Property:

• Vapor Pressure: 0.00931mmHg at 25°C
• Boiling Point: 253.8°C at 760 mmHg
• Flash Point: 124°C
• PSA: 45.53000
• Density: 1.24g/cm³
• LogP: 2.25170
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.01393598
• Heavy Atom Count: 8
• Complexity: 59.5

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SO

Technology Process of Benzenesulfenic acid

There total 25 articles about Benzenesulfenic acid 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: 95.0%

(1-Fluoro-heptadecane-1-sulfinyl)-benzene (85970-52-1) → substituted benzenethiol (27610-20-4) + (E)-1-Fluoro-heptadec-1-ene (85970-56-5)

Guidance literature:

at 180 ℃; for 0.5h; pyrolysis;

DOI:10.1016/S0040-4039(00)81509-9

Reference yield: 93.0%

(1-Fluoro-tridecane-1-sulfinyl)-benzene (85970-51-0) → substituted benzenethiol (27610-20-4) + (E)-1-Fluoro-tridec-1-ene (85970-55-4)

Guidance literature:

at 180 ℃; for 0.5h; pyrolysis;

DOI:10.1016/S0040-4039(00)81509-9

Reference yield: 86.0%

(1-Fluoro-nonane-1-sulfinyl)-benzene (85970-50-9) → substituted benzenethiol (27610-20-4) + (E)-1-Fluoro-non-1-ene (85970-54-3)

Guidance literature:

at 180 ℃; for 0.5h; pyrolysis;

DOI:10.1016/S0040-4039(00)81509-9

upstream raw materials:

(tert-butylsulfinyl)benzene

2,2'-thiobis-ethanol

methoxymethyl benzenesulfenate

Thiocyanate

Downstream raw materials:

phenyl thiobenzoate

(E)-S-phenyl 3-phenylprop-2-enethioate

S-phenyl thioacetate

thiophenol

Refernces

• 1、 Yoshimura, Toshiaki,Hamada, Kazuhiro,Yamazaki, Satoru,Shimasaki, Choichiro,Ono, Shin,Tsukurimishi, Eiichi. "Model Reaction of Self-Condensation of Sulfenic Acids. Kinetic Investigation for the Reaction of Methyl Benzenesulfenate with trans-Decalin-9-sulfenic Acid and 2-Methyl-2-propanesulfenic Acid". . p. 211 - 218. Retrieved 2007/10/02.
• 2、 Okuyama, Tadashi,Fueno, Takayuki. "Acid-Catalyzed Cleavage of Methoxymethyl Phenyl Sulfoxide. Solvent Effects and Mode of Bond Cleavage". . p. 3111 - 3116. Retrieved 2007/10/02.