2-Benzothiazolyl diethyldithiocarbamate

Base Information

• Chemical Name: 2-Benzothiazolyl diethyldithiocarbamate
• CAS No.: 95-30-7
• Molecular Formula: C12H14N2S3
• Molecular Weight: 282.455
• Hs Code.: 2934999090
• European Community (EC) Number: 202-408-6
• NSC Number: 4035
• UNII: 19V77729YZ
• DSSTox Substance ID: DTXSID4059122
• Nikkaji Number: J20.683K
• Wikidata: Q27252132
• Mol file: 95-30-7.mol

Synonyms:95-30-7;2-Benzothiazolyl diethyldithiocarbamate;Ethylac;Diethyldithiocarbamic acid 2-benzothiazolyl ester;Benzothiazol-2-yl diethyldithiocarbamate;Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester;NSC 4035;Benzo[d]thiazol-2-yl diethylcarbamodithioate;2-Benzothiazyl-N,N-diethylthiocarbamylsulfide;2-Benzothiazyl N,N-diethylthiocarbamoyl sulfide;N,N-Diethylthiocarbamoyl 2-benzothiazolyl sulfide;1,3-benzothiazol-2-yl N,N-diethylcarbamodithioate;2-(N,N-Diethyldithiocarbamyl)benzoathinzole;2-((N,N-Diethyldithio)carbamyl)benzoathiazole;EINECS 202-408-6;Diethyldithiocarbamic acid, 2-benzothiazolyl ester;N,N-Diethylthiocarbamyl-2-benzothiazolyl sulphide;2-Benzothiazolethiol, diethyldithiocarbamate (ester);BRN 0220149;Carbamodithioic acid, N,N-diethyl-, 2-benzothiazolyl ester;UNII-19V77729YZ;2-Benzothiazolyl-N,N-diethylthiocarbamyl sulfide;NSC-4035;19V77729YZ;CARBAMIC ACID, DIETHYLDITHIO-, 2-BENZOTHIAZOLYL ESTER;N,N-Diethylthiocarbamoyl-2-benzothiazolyl sulfide;2-Benzothiazolyl-N,N-(diethylthio)carbamyl sulfide;2-Benzothiazolethiol, (diethyldithio)carbamate (ester);1-(1,3-benzothiazol-2-ylsulfanyl)-N,N-diethylmethanethioamide;2-[(N,N-Diethyldithio)carbamyl]benzoathiazole;ACCELERATOR E;NOCCELER-64;SCHEMBL78509;DTXSID4059122;LFMQNMXVVXHZCC-UHFFFAOYSA-;NSC4035;C12H14N2S3;MFCD00059887;AKOS015898528;C12-H14-N2-S3;WLN: T56 BN DSJ CSYUS&N2&2;AS-69599;LS-49313;2-Benzothiazolethiol, diethyldithiocarbamate;1,3-Benzothiazol-2-yl diethyldithiocarbamate;2-(n,n-diethylthiocarbamoylthio)benzothiazole;CS-0205216;D0248;FT-0725468;1,3-Benzothiazol-2-yl diethyldithiocarbamate #;E79437;Q27252132;1-benzothiazol-2-ylsulfanyl-N,N-diethyl-methanethioamide

Chemical Property of 2-Benzothiazolyl diethyldithiocarbamate

Chemical Property:

• Vapor Pressure: 2.49E-06mmHg at 25°C
• Melting Point: 79 °C
• Refractive Index: 1.693
• Boiling Point: 391.273 °C at 760 mmHg
• PKA: 0.49±0.50(Predicted)
• Flash Point: 190.435 °C
• PSA: 101.76000
• Density: 1.315 g/cm³
• LogP: 4.01510
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 282.03191198
• Heavy Atom Count: 17
• Complexity: 269

Purity/Quality:

99% ^*data from raw suppliers

2-Benzothiazolyl Diethyldithiocarbamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)SC1=NC2=CC=CC=C2S1

Technology Process of 2-Benzothiazolyl diethyldithiocarbamate

There total 10 articles about 2-Benzothiazolyl diethyldithiocarbamate 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: 71.0%

2-bromo-1,3-benzothiazole (2516-40-7) + disulfiram (97-77-8) → benzo[d]thiazol-2-yl diethylcarbamodithioate (95-30-7)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 100 ℃; for 48h;

DOI:10.1002/ejoc.201900475

Reference yield: 71.0%

→ benzo[d]thiazol-2-yl diethylcarbamodithioate (95-30-7)

Guidance literature:

With caesium carbonate; In dimethyl sulfoxide; at 110 ℃; for 48h; Schlenk technique;

Reference yield:

2-chlorobenzo[d][1,3]thiazole (615-20-3) → benzo[d]thiazol-2-yl diethylcarbamodithioate (95-30-7)

Guidance literature:

With ethanol;

upstream raw materials:

benzo[d]thiazol-2-yl thiocyanate

Diethyldithiocarbamic acid

disulfiram

di(benzothiazol-2-yl)disulfide

Refernces

• 1、 -. "Heterocyclic dithiocarbamate compound and preparation method thereof". Paragraph 0032; 0033; 0046-0050. . Retrieved 2018/12/05.