ChemSpider 2D Image | N-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide | C12H7Cl2N3OS

N-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide

  • Molecular FormulaC12H7Cl2N3OS
  • Average mass312.174 Da
  • Monoisotopic mass310.968689 Da
  • ChemSpider ID35158667

More details:

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

5-Isothiazolecarboxamide, N-(cyanomethyl)-3-(3,4-dichlorophenyl)- [ACD/Index Name]
N-(Cyanmethyl)-3-(3,4-dichlorphenyl)-1,2-thiazol-5-carboxamid [German] [ACD/IUPAC Name]
N-(Cyanomethyl)-3-(3,4-dichlorophenyl)-1,2-thiazole-5-carboxamide [ACD/IUPAC Name]
N-(Cyanométhyl)-3-(3,4-dichlorophényl)-1,2-thiazole-5-carboxamide [French] [ACD/IUPAC Name]
1465372-06-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 463.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.1±28.7 °C
Index of Refraction: 1.630
Molar Refractivity: 75.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.42
ACD/KOC (pH 5.5): 17.40
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.95
Polar Surface Area: 94 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 211.6±3.0 cm3

Click to predict properties on the Chemicalize site


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