ChemSpider 2D Image | 2-{[(1-Phenyl-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine | C14H11N7S

2-{[(1-Phenyl-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine

  • Molecular FormulaC14H11N7S
  • Average mass309.349 Da
  • Monoisotopic mass309.079651 Da
  • ChemSpider ID30407912

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidine, 2-[[(1-phenyl-1H-1,2,4-triazol-3-yl)methyl]thio]- [ACD/Index Name]
2-{[(1-Phenyl-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidin [German] [ACD/IUPAC Name]
2-{[(1-Phenyl-1H-1,2,4-triazol-3-yl)methyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine [ACD/IUPAC Name]
2-{[(1-Phényl-1H-1,2,4-triazol-3-yl)méthyl]sulfanyl}[1,2,4]triazolo[1,5-a]pyrimidine [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.810
Molar Refractivity: 87.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 9.48
ACD/KOC (pH 5.5): 174.16
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 9.49
ACD/KOC (pH 7.4): 174.18
Polar Surface Area: 99 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 71.6±7.0 dyne/cm
Molar Volume: 203.6±7.0 cm3

Click to predict properties on the Chemicalize site


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