ChemSpider 2D Image | 3-Chloro-5-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1,2-thiazole-4-carbonitrile | C10H10ClN5S

3-Chloro-5-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1,2-thiazole-4-carbonitrile

  • Molecular FormulaC10H10ClN5S
  • Average mass267.738 Da
  • Monoisotopic mass267.034546 Da
  • ChemSpider ID29824030

More details:

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

3-Chlor-5-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Chloro-5-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
3-Chloro-5-{[(3,5-diméthyl-1H-pyrazol-4-yl)méthyl]amino}-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Isothiazolecarbonitrile, 3-chloro-5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 434.6±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.6±26.5 °C
Index of Refraction: 1.643
Molar Refractivity: 66.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 27.91
ACD/KOC (pH 5.5): 373.84
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.78
ACD/KOC (pH 7.4): 385.43
Polar Surface Area: 106 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 182.7±5.0 cm3

Click to predict properties on the Chemicalize site


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