ChemSpider 2D Image | 2-(Chloromethyl)-1,3-thiazole-4-carbonitrile | C5H3ClN2S

2-(Chloromethyl)-1,3-thiazole-4-carbonitrile

  • Molecular FormulaC5H3ClN2S
  • Average mass158.609 Da
  • Monoisotopic mass157.970551 Da
  • ChemSpider ID61922175

More details:

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

2-(Chlormethyl)-1,3-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
2-(Chloromethyl)-1,3-thiazole-4-carbonitrile [ACD/IUPAC Name]
2-(Chlorométhyl)-1,3-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Thiazolecarbonitrile, 2-(chloromethyl)- [ACD/Index Name]
2091593-06-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 270.2±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 117.2±21.8 °C
Index of Refraction: 1.578
Molar Refractivity: 36.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.46
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.46
Polar Surface Area: 65 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 110.6±5.0 cm3

Click to predict properties on the Chemicalize site


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