ChemSpider 2D Image | 4-Chloro-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine | C7H6ClN5S

4-Chloro-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine

  • Molecular FormulaC7H6ClN5S
  • Average mass227.674 Da
  • Monoisotopic mass227.003250 Da
  • ChemSpider ID60983430

More details:

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

4-Chlor-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin [German] [ACD/IUPAC Name]
4-Chloro-6-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine [ACD/IUPAC Name]
4-Chloro-6-[(4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-chloro-6-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]- [ACD/Index Name]
1248121-23-4 [RN]
MFCD14611301

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

Density: 1.6±0.1 g/cm3
Boiling Point: 449.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.8±3.0 kJ/mol
Flash Point: 225.7±31.5 °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: 1.27
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 95.67
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 95.67
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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