Diethylthiocarbamoyl chloride

Base Information

• Chemical Name: Diethylthiocarbamoyl chloride
• CAS No.: 88-11-9
• Molecular Formula: C5H10ClNS
• Molecular Weight: 151.66
• Hs Code.: 29302000
• European Community (EC) Number: 201-799-0
• NSC Number: 379476
• DSSTox Substance ID: DTXSID0075364
• Nikkaji Number: J23.437K
• Wikidata: Q72462227
• Mol file: 88-11-9.mol

Synonyms:Diethylthiocarbamoyl chloride;88-11-9;Diethyl thiocarbamoyl chloride;N,N-diethylcarbamothioyl chloride;Carbamothioic chloride, diethyl-;diethylcarbamothioic chloride;EINECS 201-799-0;N,N-Diethylcarbamothioic chloride;Diethylthiocarbamoylchloride;(chloromethanethioyl)diethylamine;diethylthiocarbamoylchlorid-;diethylthiocarbamyl chloride;N,N-Diethylchlorothioformamide;SCHEMBL356069;N,N-diethylcarbamothioylchlorid;C5-H10-Cl-N-S;N,N-diethylthiocarbamyl chloride;DTXSID0075364;N,N-diethylthiocarbamoyl chloride;Diethylthiocarbamoyl chloride, 95%;GEO-03231;MFCD00022106;NSC379476;STK301834;AKOS003790629;NSC 379476;NSC-379476;AS-81556;FT-0624912;EN300-22158;A842473;J-802192;W-100418

Chemical Property of Diethylthiocarbamoyl chloride

Chemical Property:

• Appearance/Colour: Yellow Crystalline Solid
• Vapor Pressure: 0.00105mmHg at 25°C
• Melting Point: 45-50 °C(lit.)
• Refractive Index: 1.521
• Boiling Point: 301.5 °C at 760 mmHg
• PKA: 0.30±0.50(Predicted)
• Flash Point: 136.1 °C
• PSA: 35.33000
• Density: 1.125 g/cm³
• LogP: 1.85190
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 151.0222482
• Heavy Atom Count: 8
• Complexity: 80.5

Purity/Quality:

99% ^*data from raw suppliers

Diethylthiocarbamoyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C ; Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 22-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CC)C(=S)Cl
• Uses: Diethylthiocarbamoyl chloride (N,N′-Diethylthiocarbamoyl chloride) may be used in the following syntheses:aryl isothiocyanates5-substituted 4-methyl-2-thiazolyl diethyldithiocarbamatesnovel type of vasorelaxant hybrid compounds Diethylthiocarbamoyl chloride is a useful synthetic intermediate

Technology Process of Diethylthiocarbamoyl chloride

There total 5 articles about Diethylthiocarbamoyl chloride 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: 77.0%

thiophosgene (463-71-8) + diethylamine (109-89-7) → N,N-diethylthiocarbamoyl chloride (88-11-9)

Guidance literature:

In hexane; at 8 ℃;

DOI:10.1021/jf9607371

Reference yield: 1.3%

disulfiram (97-77-8) → N,N-diethylcarbamyl chloride (88-10-8) + N,N-diethylthiocarbamoyl chloride (88-11-9)

Guidance literature:

With sulfuryl dichloride; In benzene; at 50 ℃; for 6h;

DOI:10.1007/BF00953298

Reference yield:

Thiram (137-26-8,93196-73-7) → N,N-diethylthiocarbamoyl chloride (88-11-9)

Guidance literature:

With sulfuryl dichloride; In 1,2-dichloro-ethane; at 60 - 65 ℃; for 2h; Large scale;

upstream raw materials:

disulfiram

thiophosgene

diethylamine

Thiram

Downstream raw materials:

4-methyl-piperazine-1-carbothioic acid diethylamide

diethyl-thiocarbamic acid O-(4-benzyl-phenyl ester)

diethyl-thiocarbamic acid O-(2-benzyl-4-chloro-phenyl ester)

diethyl-thiocarbamic acid O-(2-benzyl-phenyl ester)

Refernces

• 1、 Len, Christophe,Postel, Denis,Ronco, Gino,Villa, Pierre. "Synthesis of dithio-, thio- and carbamoyl ester derivatives of monosaccharides and itols". . p. 41 - 59. Retrieved 1998.
• 2、 Pudovik, A. N.,Khairullin, V. K.,Vasyanina, M. A.,Kamalov, R. M.,Kataeva, O. N.,et al.. "SYNTHESIS AND STRUCTURE OF THE DIMETHYLAMIDE OF CHLOROTHIOFORMIC ACID AND ITS REACTION WITH POTASSIUM THIOCYANATE". . p. 819 - 822. Retrieved 2007/10/02.