S-Isopropyl chlorothioformate

Base Information

• Chemical Name: S-Isopropyl chlorothioformate
• CAS No.: 13889-93-5
• Molecular Formula: C4H7ClOS
• Molecular Weight: 138.618
• Hs Code.: 2930909899
• European Community (EC) Number: 625-457-9
• DSSTox Substance ID: DTXSID30534267
• Wikidata: Q82407992
• Mol file: 13889-93-5.mol

Synonyms:S-Isopropyl chlorothioformate;13889-93-5;S-propan-2-yl Chloromethanethioate;chloro(propan-2-ylsulfanyl)methanone;S-Isopropylchlorothioformate;SCHEMBL515351;Carbonochloridothioic acid, S-(1-methylethyl) ester;DTXSID30534267;S-isopropyl carbonochloridothioate;RQBXSTFDPJDJDH-UHFFFAOYSA-N;s-Isopropyl chlorothioformate,96%;S-CHLOROFORMYL-2-PROPYLTHIOLE;S-Propan-2-yl carbonochloridothioate;AKOS025294466;BS-21378;S-ISOPROPYL CHLOROTHIOFORMATE, 96%;EN300-7186918;J-007193

Chemical Property of S-Isopropyl chlorothioformate

Chemical Property:

• Vapor Pressure: 4.41mmHg at 25°C
• Refractive Index: n20/D 1.4738
• Boiling Point: 44-44 °C/20 mmHg
• Flash Point: 40 °C
• PSA: 42.37000
• Density: 1.116 g/mL at 25 °C
• LogP: 2.48680
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.9906137
• Heavy Atom Count: 7
• Complexity: 72.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

S-Isopropyl chlorothioformate 96% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,C
• Statements: 10-23/24/25-34-20/21/22
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)SC(=O)Cl

Technology Process of S-Isopropyl chlorothioformate

There total 2 articles about S-Isopropyl chlorothioformate 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:

phosgene (75-44-5) + 2-propanethiol (75-33-2) → S-isopropyl chlorothiocarbonate (13889-93-5)

Guidance literature:

DOI:10.1007/BF00899335

Reference yield:

→ S-isopropyl chlorothiocarbonate (13889-93-5)

Guidance literature:

entspr. Mercaptan, COCl2;

Reference yield: 100.0%

S-isopropyl chlorothiocarbonate (13889-93-5) + 6-chloro-3-phenylpyridazin-4-ol (40020-01-7) → O-[3-phenyl-6-chloro-4-pyridazinyl]S-isopropyl thiocarbonate (88880-55-1)

Guidance literature:

In sodium hydroxide; water; acetone;

upstream raw materials:

phosgene

2-propanethiol

Downstream raw materials:

(3,4-dichloro-phenyl)-hydroxy-thiocarbamic acid S-isopropyl ester

N-p-Tolyl-N-isopropylmercaptocarbonyl-hydroxylamin

N-(m-Chlor-phenyl)-N-(isopropyl-mercaptocarbonyl)-hydroxylamin

N-(4-Chlor-phenyl)-N-isopropylmercaptocarbonyl-hydroxylamin

Refernces