ChemSpider 2D Image | 2-Chloro-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine | C7H6ClN5S

2-Chloro-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

  • Molecular FormulaC7H6ClN5S
  • Average mass227.674 Da
  • Monoisotopic mass227.003250 Da
  • ChemSpider ID39824483

More details:

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

2-Chlor-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin [German] [ACD/IUPAC Name]
2-Chloro-4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine [ACD/IUPAC Name]
2-Chloro-4-[(4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 2-chloro-4-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]- [ACD/Index Name]
1250685-54-1 [RN]
MFCD16712648

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

Density: 1.6±0.1 g/cm3
Boiling Point: 492.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 251.5±26.5 °C
Index of Refraction: 1.763
Molar Refractivity: 58.1±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 71.00
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 71.00
Polar Surface Area: 82 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 140.9±7.0 cm3

Click to predict properties on the Chemicalize site


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