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Basic Information
CAS No.: 617-38-9
Name: Dimethyldithiocarbamic acid ethyl ester
Molecular Structure:
Molecular Structure of 617-38-9 (Dimethyldithiocarbamic acid ethyl ester)
Formula: C5H11NS2
Molecular Weight: 149.281
Synonyms: Dimethyl-dithiocarbamidsaeure-aethylester;Ethyl dimethylcarbamodithioate;Ethyl ester of dimethyldithiocarbamic acid;Ethyl dimethyldithiocarbamate;CARBAMIC ACID,DIMETHYLDITHIO-,ETHYL ESTER;ethyl N,N-dimethyl-dithiocarbamate;Preparation 23;Dithiokohlensaeure-aethylester-dimethylamid;N.N-Dimethyl-dithiourethan;dimethyl-dithiocarbamic acid ethyl ester;S-ethyl dimethyldithiocarbamate;Carbamodithioic acid,dimethyl-,ethyl ester;
Density: 1.087g/cm3
Boiling Point: 187.5°C at 760 mmHg
Flash Point: 67.2°C
Safety: Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also CARBAMATES.
PSA: 60.63000
LogP: 1.58600
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Chemistry

IUPAC Name: ethyl N,N-dimethylcarbamodithioate 
Empirical Formula: C5H11NS2
Molecular Weight: 149.2775g/mol 
Index of Refraction: 1.557
Molar Refractivity: 44.22 cm3
Molar Volume: 137.2 cm3
Polarizability: 17.53×10-24cm3
Surface Tension: 44.2 dyne/cm
Density: 1.087 g/cm3
Flash Point: 67.2 °C
Enthalpy of Vaporization: 42.38 kJ/mol
Boiling Point: 187.5 °C at 760 mmHg
Vapour Pressure: 0.627 mmHg at 25°C
Canonical SMILES: CCSC(=S)N(C)C
InChI: InChI=1S/C5H11NS2/c1-4-8-5(7)6(2)3/h4H2,1-3H3
InChIKey: VPNCITAAFMVUKG-UHFFFAOYSA-N
Structure of Ethyl dimethyldithiocarbamate (CAS NO.617-38-9):

Toxicity Data With Reference

1.    

orl-rat LD50:550 mg/kg

     FATOAO    Farmakologiya i Toksikologiya (Moscow). 28 (1965),230.
2.    

orl-mus LD50:290 mg/kg

     FATOAO    Farmakologiya i Toksikologiya (Moscow). 28 (1965),230.
3.    

ipr-mus LD50:190 mg/kg

     DPHFAK    Dissertationes Pharmaceuticae et Pharmacologicae. 23 (1971),25.

Safety Profile

Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and SOx. See also CARBAMATES.

Specification

 Ethyl dimethyldithiocarbamate , its cas register number is 617-38-9. It also can be called 4-04-00-00235 (Beilstein Handbook Reference) ; BRN 1744918 ; Ethyl dimethylcarbamodithioate ; Ethyl ester of dimethyldithiocarbamic acid ;
 Preparation 23 .