Carbamodithioic acid, phenyl-, propyl ester

Base Information

• Chemical Name: Carbamodithioic acid, phenyl-, propyl ester
• CAS No.: 14549-43-0
• Molecular Formula: C10H13NS2
• Molecular Weight: 211.352
• DSSTox Substance ID: DTXSID10482934
• Wikidata: Q82319813
• Mol file: 14549-43-0.mol

Synonyms:Carbamodithioic acid, phenyl-, propyl ester;14549-43-0;DTXSID10482934

Chemical Property of Carbamodithioic acid, phenyl-, propyl ester

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 211.04894177
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC(=S)NC1=CC=CC=C1

Technology Process of Carbamodithioic acid, phenyl-, propyl ester

There total 2 articles about Carbamodithioic acid, phenyl-, propyl ester 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: 85.8%

carbon disulfide (75-15-0,12122-00-8) + aniline (62-53-3) → N-phenyl-S-propyldithiocarbamate (14549-43-0)

Guidance literature:

carbon disulfide; aniline; at 20 ℃;

propyl halide; In acetonitrile; at 20 ℃;

DOI:10.1002/ejoc.201403348

Reference yield:

phenyl isothiocyanate (103-72-0) → N-phenyl-S-propyldithiocarbamate (14549-43-0)

Guidance literature:

With diethyl ether; benzene;

Reference yield: 90.0%

N-phenyl-S-propyldithiocarbamate (14549-43-0) → bis[(Z)-1-phenylimino-1-propylthiomethyl]disulfide

Guidance literature:

With dilauryl peroxide; In 1,2-dichloro-ethane; for 1h; Reflux;

DOI:10.1002/ejoc.201403348

upstream raw materials:

phenyl isothiocyanate

carbon disulfide

aniline

Downstream raw materials:

4-oxo-3,5-diphenyl-2-propylsulfanyl-4,5-dihydro-thiazolium betaine

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