Methyl phenyldithiocarbamate

Base Information

• Chemical Name: Methyl phenyldithiocarbamate
• CAS No.: 701-73-5
• Molecular Formula: C8H9NS2
• Molecular Weight: 183.298
• NSC Number: 57602
• UNII: YOZ2OB6RH0
• DSSTox Substance ID: DTXSID80220380
• Nikkaji Number: J47.624B
• Mol file: 701-73-5.mol

Synonyms:Methyl phenyldithiocarbamate;Methyl dithiocarbanilate;Methyl N-phenyldithiocarbamate;701-73-5;Carbamodithioic acid, phenyl-, methyl ester;ENT 31472;Methyl phenylcarbamodithioate;CARBANILIC ACID, DITHIO-, METHYL ESTER;NSC 57602;YOZ2OB6RH0;BRN 2803060;AI3-31472;ENT-31472;NSC-57602;Phenyldithiocarbamic acid methyl ester;Carbamodithioic acid, N-phenyl-, methyl ester;Carbamodithioic acid, phenyl-, methyl ester (9CI);methylphenyldithiocarbamate;UNII-YOZ2OB6RH0;WLN: SUYS1&MR;C8H9NS2;SCHEMBL1286315;SCHEMBL14285667;DTXSID80220380;NSC57602;N-phenyl(methylsulfanyl)carbothioamide;AKOS000269301;N-PHENYL-S-METHYLDITHIOCARBAMATE;LS-51205

Chemical Property of Methyl phenyldithiocarbamate

Chemical Property:

• Vapor Pressure: 0.00458mmHg at 25°C
• Melting Point: 95.5°C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 277.2°C at 760 mmHg
• Flash Point: 121.5°C
• PSA: 69.42000
• Density: 1.269g/cm³
• LogP: 2.81940
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 183.01764164
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl phenyldithiocarbamate

There total 13 articles about Methyl phenyldithiocarbamate 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: 86.0%

aniline (62-53-3) + 3-methyl-1-(methyldithiocarbonyl)imidazolium iodide → methyl N-phenyldithiocarbamate (701-73-5)

Guidance literature:

In ethanol; for 1h; Heating;

DOI:10.1016/S0040-4020(99)01026-1

Reference yield: 83.6%

carbon disulfide (75-15-0,12122-00-8) + aniline (62-53-3) → methyl N-phenyldithiocarbamate (701-73-5)

Guidance literature:

carbon disulfide; aniline; at 20 ℃;

methyl halide; In acetonitrile; at 20 ℃;

DOI:10.1002/ejoc.201403348

Reference yield: 83.0%

carbon disulfide (75-15-0,12122-00-8) + aniline (62-53-3) + methyl iodide (74-88-4) → methyl N-phenyldithiocarbamate (701-73-5)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; caesium carbonate; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 3h;

DOI:10.1016/S0040-4039(01)00132-0

upstream raw materials:

diphenyl-μ-disulfido-1,2-dithio-dicarbonimidic acid dimethyl ester

carbon disulfide

N,N'-diphenyl-S-methyl isothiourea

aniline

Downstream raw materials:

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

Phenyl-(9H-purin-8-yl)-amine

2,2'-bis(phenylamino)-5,5'(6,6')-bibenzimidazole

4-oxo-3-phenyl-2-thioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine

Refernces

• 1、 Sulthana,Chitra,Alagarsamy. "Anti-HIV, Antitubercular and Antibacterial Activities of Novel 3-(Substituted Quinazolinylamino)-2-phenyl quinazolin-4(3H)ones". . p. 281 - 286. Retrieved 2020/01/08.
• 2、 -. "Novel Urea Compounds, Preparation Methods and Uses Thereof". Paragraph 0225-0226. . Retrieved 2016/11/14.