ChemSpider 2D Image | (2-Phenyl-1H-indol-3-yl)methyl diethylcarbamodithioate | C20H22N2S2

(2-Phenyl-1H-indol-3-yl)methyl diethylcarbamodithioate

  • Molecular FormulaC20H22N2S2
  • Average mass354.532 Da
  • Monoisotopic mass354.122437 Da
  • ChemSpider ID57435669

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2-Phenyl-1H-indol-3-yl)methyl diethylcarbamodithioate [ACD/IUPAC Name]
(2-Phenyl-1H-indol-3-yl)methyl-diethylcarbamodithioat [German] [ACD/IUPAC Name]
Carbamodithioic acid, N,N-diethyl-, (2-phenyl-1H-indol-3-yl)methyl ester [ACD/Index Name]
Diéthylcarbamodithioate de (2-phényl-1H-indol-3-yl)méthyle [French] [ACD/IUPAC Name]
67416-82-4 [RN]
CARBAMODITHIOIC ACID, DIETHYL-, (2-PHENYL-1H-INDOL-3-YL)METHYL ESTER

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 547.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 285.2±32.9 °C
Index of Refraction: 1.678
Molar Refractivity: 110.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 13074.13
ACD/KOC (pH 5.5): 30769.04
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13074.43
ACD/KOC (pH 7.4): 30769.74
Polar Surface Area: 76 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 292.2±3.0 cm3

Click to predict properties on the Chemicalize site


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