ChemSpider 2D Image | 5-Amino-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide | C13H13N7OS2

5-Amino-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide

  • Molecular FormulaC13H13N7OS2
  • Average mass347.419 Da
  • Monoisotopic mass347.062286 Da
  • ChemSpider ID22001722

More details:

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

1H-1,2,3-Triazole-4-carboxamide, 5-amino-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-phenyl- [ACD/Index Name]
5-Amino-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-1H-1,2,3-triazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-N-[5-(éthylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-phényl-1H-1,2,3-triazole-4-carboxamide [French] [ACD/IUPAC Name]
5-Amino-1-phenyl-1H-[1,2,3]triazole-4-carboxylic acid (5-ethylsulfanyl-[1,3,4]thiadiazol-2-yl)-amide
5-amino-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-phenyltriazole-4-carboxamide
5-amino-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-phenyl-1H-1,2,3-triazole-4-carboxamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.815
Molar Refractivity: 92.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.47
ACD/KOC (pH 5.5): 166.23
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.82
Polar Surface Area: 165 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 76.2±7.0 dyne/cm
Molar Volume: 212.9±7.0 cm3

Click to predict properties on the Chemicalize site


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