Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester (9CI)

Base Information

• Chemical Name: Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester (9CI)
• CAS No.: 714-22-7
• Molecular Formula: C10H10ClNS2
• Molecular Weight: 243.7761
• DSSTox Substance ID: DTXSID80221579
• Nikkaji Number: J358.396A
• Mol file: 714-22-7.mol

Synonyms:Allyl p-chlorodithiocarbanilate;p-Chlorodithiocarbanilic acid allyl ester;BRN 3051191;Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester;714-22-7;CARBANILIC ACID, p-CHLORODITHIO-, ALLYL ESTER;Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester (9CI);C10H10ClNS2;C10-H10-Cl-N-S2;DTXSID80221579;LS-50986;N-(4-Chlorophenyl)dithiocarbamic acid (2-propenyl) ester

Chemical Property of Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester (9CI)

Chemical Property:

• Vapor Pressure: 0.000235mmHg at 25°C
• Boiling Point: 325.1°C at 760 mmHg
• Flash Point: 150.4°C
• Density: 1.321g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 242.9943194
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCSC(=S)NC1=CC=C(C=C1)Cl

Technology Process of Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester (9CI)

There total 3 articles about Carbamodithioic acid, (4-chlorophenyl)-, 2-propenyl ester (9CI) 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: 75.0%

carbon disulfide (75-15-0,12122-00-8) + 4-chloro-aniline (106-47-8) → S-allyl-N-(4-chlorophenyl)dithiocarbamate (714-22-7)

Guidance literature:

carbon disulfide; 4-chloro-aniline; at 20 ℃;

allyl halide; In acetonitrile; at 20 ℃;

DOI:10.1002/ejoc.201403348

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 4-chloro-aniline (106-47-8) + allyl bromide (106-95-6) → S-allyl-N-(4-chlorophenyl)dithiocarbamate (714-22-7)

Guidance literature:

With sodium hydroxide; Yield given. Multistep reaction; 1a) DMSO, RT, 0.5 h, 1b) RT, 0.5 h, 2) 0 to 20 deg C, 2 h;

DOI:10.1055/s-1991-26400

Reference yield:

→ S-allyl-N-(4-chlorophenyl)dithiocarbamate (714-22-7)

Guidance literature:

entspr. Dithiocarbamat, entspr. R-Halogenid;

upstream raw materials:

carbon disulfide

4-chloro-aniline

allyl bromide

Downstream raw materials:

C₁₁H₁₂ClNS₂

Allyl-(4-chloro-phenyl)-dithiocarbamic acid methyl ester

N²,N⁵-bis(4-chlorophenyl)-1,3,4-thiadiazole-2,5-diamine