Carbamodithioic acid, N,N-diethyl-, phenylmethylester supplier

Name
DIETHYLDITHIOCARBAMIC ACID BENZYL ESTER
EINECS
CAS No. 3052-61-7
Article Data11
CAS DataBase
Density 1.116 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NS₂
Boiling Point 331.7 °C at 760 mmHg
Molecular Weight 239.406
Flash Point 154.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamic acid, diethyldithio-,benzyl ester (6CI,7CI,8CI);Carbamodithioic acid,diethyl-, phenylmethyl ester (9CI);Benzyl N,N-diethyldithiocarbamate;Benzyl diethyldithiocarbamate;Cabac;S-Benzyl N,N-diethyldithiocarbamate;
PSA 60.63000
LogP 3.54650

Carbamodithioic acid, N,N-diethyl-, phenylmethylester Specification

The Carbamodithioic acid, N,N-diethyl-, phenylmethylester, with the CAS registry number 3052-61-7, is also known as Benzyl N,N-diethyldithiocarbamate. This chemical's molecular formula is C₁₂H₁₇NS₂ and molecular weight is 239.4001. Its systematic name is called benzyl diethylcarbamodithioate.

Physical properties of Carbamodithioic acid, N,N-diethyl-, phenylmethylester: (1)ACD/LogP: 4.14; (2)ACD/LogD (pH 5.5): 4.14; (3)ACD/LogD (pH 7.4): 4.14; (4)ACD/BCF (pH 5.5): 823.77; (5)ACD/BCF (pH 7.4): 823.79; (6)ACD/KOC (pH 5.5): 4253.36; (7)ACD/KOC (pH 7.4): 4253.47; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.599; (11)Molar Refractivity: 73.34 cm³; (12)Molar Volume: 214.4 cm³; (13)Surface Tension: 48.4 dyne/cm; (14)Density: 1.116 g/cm³; (15)Flash Point: 154.4 °C; (16)Enthalpy of Vaporization: 57.44 kJ/mol; (17)Boiling Point: 331.7 °C at 760 mmHg; (18)Vapour Pressure: 0.000153 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(SCc1ccccc1)N(CC)CC
(2)InChI: InChI=1/C12H17NS2/c1-3-13(4-2)12(14)15-10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
(3)InChIKey: SNBMGLUIIGFNFE-UHFFFAOYAZ

Product Name

DIETHYLDITHIOCARBAMIC ACID BENZYL ESTER

Carbamodithioic acid, N,N-diethyl-, phenylmethylester Specification

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