Benzoyl sulfide

Base Information

• Chemical Name: Benzoyl sulfide
• CAS No.: 1850-15-3
• Molecular Formula: C14H10O2S
• Molecular Weight: 242.298
• Hs Code.: 2930909090
• NSC Number: 41899
• UNII: BR7STZ7YMK
• DSSTox Substance ID: DTXSID30171696
• Nikkaji Number: J80.329D
• Wikidata: Q83041827
• Mol file: 1850-15-3.mol

Synonyms:Benzoyl sulfide;Dibenzoyl sulfide;1850-15-3;S-benzoyl benzenecarbothioate;Benzoic thioanhydride;Dibenzoic thioanhydride;Thiolbenzoic anhydride;Benzenecarbothioic acid, anhydrosulfide;BENZOIC ACID, THIO-, ANHYDROSULFIDE;BR7STZ7YMK;NSC 41899;BRN 2050505;AI3-16814;Benzenecarbothioic acid, anhydrosulfide [Czech];NSC-41899;4-09-00-01371 (Beilstein Handbook Reference);Dibenzoylsulfid;SULFIDE,DIBENZOYL;UNII-BR7STZ7YMK;SCHEMBL4453783;DTXSID30171696;NSC41899;AKOS024339781;LS-38323;BENZENECARBOTHIOIC ACID, 1,1'-ANHYDROSULFIDE

Chemical Property of Benzoyl sulfide

Chemical Property:

• Vapor Pressure: 2.16E-06mmHg at 25°C
• Boiling Point: 393.2°Cat760mmHg
• Flash Point: 173°C
• PSA: 59.44000
• Density: 1.246g/cm³
• LogP: 3.40040
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.04015073
• Heavy Atom Count: 17
• Complexity: 248

Purity/Quality:

90%,98% ^*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)SC(=O)C2=CC=CC=C2

Technology Process of Benzoyl sulfide

There total 21 articles about Benzoyl sulfide 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: 97.0%

benzoyl chloride (98-88-4) → benzoyl sulfide (1850-15-3)

Guidance literature:

With sodium sulfide; cetyltributylphosphonium bromide; In dichloromethane; at 0 ℃; for 2.16667h;

Reference yield: 95.0%

dibenzoyl disulfide (644-32-6) + Dimethyl phosphite (868-85-9) → benzoyl sulfide (1850-15-3) + Natriumsalz des Thiophosphorsaeure-O,O-dimethylesters (23754-87-2)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,2-dichloro-ethane; at 20 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)70669-1

Reference yield: 66.0%

→ benzoyl sulfide (1850-15-3)

Guidance literature:

With thiourea; In water; at 60 ℃;

upstream raw materials:

benzoyl chloride

dibenzoyl disulfide

triphenylphosphine

benzene

Downstream raw materials:

thiobenzoic acid

benzoic acid

benzamide

benzoyl-phenyl-disulfane

Refernces

• 1、 Singh, Suryabhan,Chaturvedi, Jyotsna,Bhattacharya, Subrato,N?th, Heinrich. "Silver(I) catalyzed oxidation of thiocarboxylic acids into the corresponding disulfides and synthesis of some new Ag(I) complexes of thiophene-2-thiocarboxylate". . p. 93 - 97. Retrieved 2011.
• 2、 -. "Asymmetric benzoic acid thio anhydride derivative and its preparation method and application (by machine translation)". Paragraph 0023; 0024; 0028. . Retrieved 2018/09/21.
• 3、 Koketsu, Mamoru,Sekiya, Yoji,Ishihara, Hideharu. "A convenient synthesis of diacyl sulfides using a novel sulfur transfer reagent". . p. 633 - 635. Retrieved 2007/10/03.