ChemSpider 2D Image | 5-{[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide | C13H13N7OS2

5-{[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

  • Molecular FormulaC13H13N7OS2
  • Average mass347.419 Da
  • Monoisotopic mass347.062286 Da
  • ChemSpider ID21894787

More details:

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

1,3,4-Thiadiazole-2-carboxamide, 5-[[(5-amino-4H-1,2,4-triazol-3-yl)thio]methyl]-N-(4-methylphenyl)- [ACD/Index Name]
5-{[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazol-2-carboxamid [German] [ACD/IUPAC Name]
5-{[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide [ACD/IUPAC Name]
5-{[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]méthyl}-N-(4-méthylphényl)-1,3,4-thiadiazole-2-carboxamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.734
Molar Refractivity: 88.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.76
ACD/KOC (pH 5.5): 89.64
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.73
ACD/KOC (pH 7.4): 89.02
Polar Surface Area: 176 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 105.8±5.0 dyne/cm
Molar Volume: 221.4±5.0 cm3

Click to predict properties on the Chemicalize site


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