ChemSpider 2D Image | 5-Chloro-3-methyl-1,2-thiazole-4-carbonitrile | C5H3ClN2S

5-Chloro-3-methyl-1,2-thiazole-4-carbonitrile

  • Molecular FormulaC5H3ClN2S
  • Average mass158.609 Da
  • Monoisotopic mass157.970551 Da
  • ChemSpider ID48092064

More details:

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

25069-00-5 [RN]
4-Isothiazolecarbonitrile, 5-chloro-3-methyl- [ACD/Index Name]
5-Chlor-3-methyl-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Chloro-3-methyl-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
5-Chloro-3-méthyl-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-Chloro-3-methylisothiazole-4-carbonitrile
MFCD28246450

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

Density: 1.4±0.1 g/cm3
Boiling Point: 165.8±40.0 °C at 760 mmHg
Vapour Pressure: 1.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.2±3.0 kJ/mol
Flash Point: 54.1±27.3 °C
Index of Refraction: 1.581
Molar Refractivity: 36.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.27
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.59
ACD/KOC (pH 5.5): 237.00
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.59
ACD/KOC (pH 7.4): 237.00
Polar Surface Area: 65 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 110.1±5.0 cm3

Click to predict properties on the Chemicalize site


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