ChemSpider 2D Image | 4-Chloro-6-methyl-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine | C8H9ClN6S

4-Chloro-6-methyl-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine

  • Molecular FormulaC8H9ClN6S
  • Average mass256.715 Da
  • Monoisotopic mass256.029785 Da
  • ChemSpider ID36294723

More details:

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

4-Chlor-6-methyl-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidin [German] [ACD/IUPAC Name]
4-Chloro-6-methyl-2-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine [ACD/IUPAC Name]
4-Chloro-6-méthyl-2-{[(1-méthyl-1H-tétrazol-5-yl)sulfanyl]méthyl}pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-chloro-6-methyl-2-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 424.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.9±3.0 kJ/mol
Flash Point: 210.5±31.5 °C
Index of Refraction: 1.751
Molar Refractivity: 65.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.98
ACD/KOC (pH 5.5): 93.53
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 3.98
ACD/KOC (pH 7.4): 93.53
Polar Surface Area: 95 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 160.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement