N,N'-Dimethyldiphenylthiuram disulphide

Base Information

• Chemical Name: N,N'-Dimethyldiphenylthiuram disulphide
• CAS No.: 10591-84-1
• Molecular Formula: C16H16 N2 S4
• Molecular Weight: 364.58
• European Community (EC) Number: 234-196-6
• NSC Number: 37161
• DSSTox Substance ID: DTXSID90147413
• Nikkaji Number: J129.630B
• Pharos Ligand ID: D4W9XS9WU2C8
• ChEMBL ID: CHEMBL570804
• Mol file: 10591-84-1.mol

Synonyms:bis (N-methylanilinylthiocarbonyl) disulfide;bis(N-methylanilinylthiocarbonyl) disulfide;di-methyl-diphenyl-thiuram disulfide;dimethyl-diphenylthiuram disulfide;dimethyldiphenylthiuram disulfide;N,N'-dimethyldiphenylthiuram disulfide;N,N'-dimethyldiphenylthiuram disulphide;RI176

Chemical Property of N,N'-Dimethyldiphenylthiuram disulphide

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• Melting Point: 168-170 °C(Solv: ethanol (64-17-5))
• Boiling Point: 478.3°Cat760mmHg
• PKA: -1.44±0.50(Predicted)
• Flash Point: 243.1°C
• PSA: 121.26000
• Density: 1.379g/cm³
• LogP: 5.21040
• Water Solubility.: 10ng/L at 20℃
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 364.01963321
• Heavy Atom Count: 22
• Complexity: 340

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C1=CC=CC=C1)C(=S)SSC(=S)N(C)C2=CC=CC=C2

Technology Process of N,N'-Dimethyldiphenylthiuram disulphide

There total 11 articles about N,N'-Dimethyldiphenylthiuram disulphide 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: 98.9%

carbon disulfide (75-15-0,12122-00-8) + N-methylaniline (100-61-8) → N,N’-dimethyl-N,N’-diphenylthiuram disulfide (10591-84-1)

Guidance literature:

With N,N-diethylnmethylamine; dihydrogen peroxide; In toluene; at 0 - 10 ℃; for 27.5h; Temperature; Reagent/catalyst; Solvent; Large scale;

Reference yield: 82.0%

→ N,N’-dimethyl-N,N’-diphenylthiuram disulfide (10591-84-1)

Guidance literature:

With potassium hydroxide; In water; at 50 ℃; for 12h;

With hydrogenchloride; sodium nitrite; In water; at 0 ℃;

Reference yield:

potassium N-methyl-N-phenyl-dithiocarbamate (83559-31-3) → N,N’-dimethyl-N,N’-diphenylthiuram disulfide (10591-84-1)

Guidance literature:

With hydrogenchloride; sodium nitrite; In methanol; water; at 0 - 5 ℃;

DOI:10.1021/jm901323s

upstream raw materials:

methyl-phenyl-dithiocarbamic acid

carbon disulfide

N-methylaniline

N-methyl-N-phenylthiocarbamoyl chloride

Downstream raw materials:

hydrogen sulfide

di(piperidin-1-yl)methanethione

1,1-diphenylthiourea

carbon disulfide

Refernces

• 1、 Wang, Meishuang,Song, Xianghai,Ma, Ning. "Reduced graphene oxide as recyclable catalyst for synthesis of Bis(aminothiocarbonyl)disulfides from secondary amines and carbon disulfide". . p. 1233 - 1239. Retrieved 2014.
• 2、 -. "Synthesis process of N, N'-dialkyl-N, N'-diphenylthiuram disulfide". Paragraph 0022-0023; 0028-0029; 0032-0043. . Retrieved 2020/05/30.