ChemSpider 2D Image | 4-Methyl-1,3-thiazole-5-carbonitrile | C5H4N2S

4-Methyl-1,3-thiazole-5-carbonitrile

  • Molecular FormulaC5H4N2S
  • Average mass124.164 Da
  • Monoisotopic mass124.009521 Da
  • ChemSpider ID24222615

More details:

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

408526-37-4 [RN]
4-Methyl-1,3-thiazol-5-carbonitril [German] [ACD/IUPAC Name]
4-Methyl-1,3-thiazole-5-carbonitrile [ACD/IUPAC Name]
4-Méthyl-1,3-thiazole-5-carbonitrile [French] [ACD/IUPAC Name]
5-Thiazolecarbonitrile, 4-methyl- [ACD/Index Name]
4-Methylthiazole-5-carbonitrile
MFCD13179602

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

Density: 1.3±0.1 g/cm3
Boiling Point: 240.1±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 99.0±21.8 °C
Index of Refraction: 1.559
Molar Refractivity: 31.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 54.92
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.89
ACD/KOC (pH 7.4): 54.92
Polar Surface Area: 65 Å2
Polarizability: 12.6±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 98.8±5.0 cm3

Click to predict properties on the Chemicalize site


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