S-Propyl chlorothioformate

Base Information

• Chemical Name: S-Propyl chlorothioformate
• CAS No.: 13889-92-4
• Molecular Formula: C4H7 Cl O S
• Molecular Weight: 138.618
• Hs Code.: 2930909090
• European Community (EC) Number: 237-656-4
• NSC Number: 72086
• UN Number: 2920
• UNII: S8YPJ4718Q
• DSSTox Substance ID: DTXSID8025963
• Nikkaji Number: J23.980A
• Wikidata: Q27289063
• ChEMBL ID: CHEMBL1469099
• Mol file: 13889-92-4.mol

Synonyms:S-PROPYL CHLOROTHIOFORMATE;n-Propyl chlorothioformate;13889-92-4;S-Propyl thiochloroformate;Propyl chlorothioformate;n-Propyl thiochloroformate;S-(n-propyl)chlorothioformic acid;Carbonochloridothioic acid, S-propyl ester;Propyl chlorothiolformate;n-Propyl chlorothiolformate;S-propyl chloromethanethioate;S-(n-Propyl) thiochloroformate;S-(Propyl)chlorothioformic acid;Formic acid, chlorothio-, S-propyl ester;CCRIS 6097;HSDB 6155;S-(n-Propyl) carbonochloridothioate;EINECS 237-656-4;NSC 72086;BRN 1633747;UNII-S8YPJ4718Q;S-(Propyl) chlorothioformate;AI3-52665;S8YPJ4718Q;DTXSID8025963;NSC-72086;S-Propyl chloridothiocarbonate;(Propylthio)carbonyl chloride;C4H7ClOS;1-(Chloroformylthio)propane;Formic acid, S-propyl ester;S-propyl carbonochloridothioate;S-propyl carbon-chloridothioate;DTXCID305963;SCHEMBL1085613;s-Propyl chlorothioformate,96%;CHEMBL1469099;S-Propyl chloridothiocarbonate #;S-Propyl chlorothioformate, 96%;NSC72086;Tox21_202532;LS-810;AKOS024319089;NCGC00091828-01;NCGC00260081-01;S-PROPYL CHLOROTHIOFORMATE [HSDB];BS-21379;CAS-13889-92-4;FT-0636976;J-007192;Q27289063

Chemical Property of S-Propyl chlorothioformate

Chemical Property:

• Vapor Pressure: 3.04mmHg at 25°C
• Refractive Index: n 20/D 1.4807
• Boiling Point: 37 °C/ 8 mmHg
• Flash Point: 49 °C
• PSA: 42.37000
• Density: 1.149 g/mL at 25 °C
• LogP: 2.48840
• Storage Temp.: 2-8°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 137.9906137
• Heavy Atom Count: 7
• Complexity: 64.7
• Transport DOT Label: Corrosive Flammable Liquid

Purity/Quality:

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

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

Safty Information:

• Hazard Codes: C
• Statements: 10-22-34
• Safety Statements: 28-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CCCSC(=O)Cl

Technology Process of S-Propyl chlorothioformate

There total 3 articles about S-Propyl 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) + 1-thiopropane (107-03-9) → n-propyl chlorothioformate (13889-92-4)

Guidance literature:

With sodium hydroxide; benzene;

DOI:10.1021/ja01512a052

Reference yield:

propyl thiocyanate (4251-16-5) + benzylmalonyl dichloride (29425-06-7) → n-propyl chlorothioformate (13889-92-4)

Guidance literature:

Reference yield:

→ n-propyl chlorothioformate (13889-92-4)

Guidance literature:

C3H7-O-CS-S-S-CS-O-C3H7, Chlor, unterhalb 30grad;

upstream raw materials:

phosgene

1-thiopropane

propyl thiocyanate

benzylmalonyl dichloride

Downstream raw materials:

propyl-thiocarbamic acid S-propyl ester

ethyl-thiocarbamic acid S-propyl ester

N-Phenyl-N-propylmercaptocarbonyl-hydroxylamin

4-Methylthiobenzoesaeure-n-propylester

Refernces