S-phenyl benzenecarbothioate

Base Information

• Chemical Name: S-phenyl benzenecarbothioate
• CAS No.: 884-09-3
• Molecular Formula: C13H10OS
• Molecular Weight: 214.288
• NSC Number: 100976
• DSSTox Substance ID: DTXSID40237015
• Nikkaji Number: J150.399E
• Wikidata: Q83119098
• Mol file: 884-09-3.mol

Synonyms:S-phenyl benzenecarbothioate;S-Phenyl thiobenzoate;Benzenecarbothioic acid, S-phenyl ester;884-09-3;Benzoic acid, thio-, S-phenyl ester;BRN 2047040;thiobenzoic acid S-phenyl ester;S-Phenyl benzothioate;NCIOpen2_006737;SCHEMBL274958;VCQYDZJGTXAFRL-UHFFFAOYSA-;DTXSID40237015;NSC100976;STK701855;PHENYL(PHENYLSULFANYL)METHANONE;AKOS002225436;NSC 100976;NSC-100976;NCGC00339051-01;LS-38341;AB01330923-02;AG-668/02781054

Chemical Property of S-phenyl benzenecarbothioate

Chemical Property:

• Vapor Pressure: 0.000403mmHg at 25°C
• Boiling Point: 316.7°Cat760mmHg
• Flash Point: 135.1°C
• Density: 1.2g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.04523611
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)SC2=CC=CC=C2

Technology Process of S-phenyl benzenecarbothioate

There total 153 articles about S-phenyl benzenecarbothioate 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: 90.0%

2-naphthyl benzoate (93-44-7) + thiophenol (108-98-5) → phenyl thiobenzoate (884-09-3) + diphenyldisulfane (882-33-7) + β-naphthol (135-19-3)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; potassium carbonate; for 0.5h; Heating;

DOI:10.1021/jo990780y

Reference yield: 84.0%

thiophenol (108-98-5) + 6-methyl-2,4-pyrimidine-diyl dibenzoate (155632-06-7) → 6-Methyluracil (626-48-2) + phenyl thiobenzoate (884-09-3)

Guidance literature:

dmap; In dichloromethane; for 24h; Heating;

DOI:10.1016/S0040-4020(01)87037-X

Reference yield: 65.0%

2-benzoyloxyacrylonitrile (72876-48-3) + thiophenol (108-98-5) → S-phenyl thioacetate (934-87-2) + phenyl thiobenzoate (884-09-3) + 2-benzoyloxy-3-phenylthiopropionitrile

Guidance literature:

With potassium carbonate; In ethanol; at 20 ℃; for 4h;

DOI:10.1246/bcsj.60.609

upstream raw materials:

thiobenzoic acid

phenyl thiocyanate

thiobenzoic acid

phenyl-(phenylthio)--methane

Downstream raw materials:

butyl phenyl disulfide

S-(n-butyl) benzothioate

diphenyldisulfane

N-phenyl benzoyl amide

Refernces

• 1、 Dall'Oglio, Evandro L.,Stein, André L.,Vasconcelos, Leonardo G.,Vieira, Lucas C. C.,de Oliveira, Angélica J.,de Oliveira, Sandynara A.. "Synthesis of selenol esters via the reaction of acyl chlorides with diselenides in the presence of Zn dust catalyzed by CoCl2·6H2O". supporting information. . Retrieved 2021/08/25.
• 2、 Cao, Han,Liu, Xuejing,Bie, Fusheng,Shi, Yijun,Han, Ying,Yan, Peng,Szostak, Michal,Liu, Chengwei. "Rh(I)-Catalyzed Intramolecular Decarbonylation of Thioesters". . p. 10829 - 10837. Retrieved 2021/07/28.