Benzenecarbothioyl chloride

Base Information

• Chemical Name: Benzenecarbothioyl chloride
• CAS No.: 3335-22-6
• Molecular Formula: C7H5ClS
• Molecular Weight: 156.636
• European Community (EC) Number: 862-925-3
• Nikkaji Number: J2.726.309G
• Mol file: 3335-22-6.mol

Synonyms:benzenecarbothioyl chloride;3335-22-6;thiobenzoyl chloride;2-thiophenoyl chloride;Thiobenzoylchlorid;SCHEMBL2403530;EN300-1724928

Chemical Property of Benzenecarbothioyl chloride

Chemical Property:

• Boiling Point: 218.95 °C at 760 mmHg
• Flash Point: 86.219 °C
• Density: 1.266 g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 155.9800490
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

99%, ^*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(=S)Cl

Technology Process of Benzenecarbothioyl chloride

There total 8 articles about Benzenecarbothioyl chloride 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: 47.0%

dithiobenzoic acid (121-68-6) → thiobenzoyl chloride (3335-22-6)

Guidance literature:

With thionyl chloride; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1002/chem.201904132

Reference yield:

chlorophenylcarbene (19807-41-1) → thiobenzoyl chloride (3335-22-6)

Guidance literature:

With propylene sulphide; In cyclohexane; at 22 ℃; Rate constant;

DOI:10.1021/ja973469b

Reference yield:

thiobenzoic acid (98-91-9) → thiobenzoyl chloride (3335-22-6)

Guidance literature:

With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; for 4h; Inert atmosphere;

DOI:10.1002/adsc.201601137

upstream raw materials:

dithiobenzoic acid

bis(thiobenzoyl) trisulfide

chlorophenylcarbene

thionyl chloride

Downstream raw materials:

5-phenyl-[1,3,4]thiadiazole-2-carboxylic acid methyl ester

bis-(α-phenyliminobenzyl) sulfide

N-Phenylbenzothioamide

Thiobenzoylisothiocyanat

Refernces

• 1、 Sharma, Nidhi,Saha, Rajib,Parveen, Naziya,Sekar, Govindasamy. "Palladium-Nanoparticles-Catalyzed Oxidative Annulation of Benzamides with Alkynes for the Synthesis of Isoquinolones". supporting information. p. 1947 - 1958. Retrieved 2017/06/09.
• 2、 -. "5,6-dihydro-4H-1,3-oxa(or thia)zine derivatives, their preparation and compositions containing them". . . Retrieved 2008/06/13.