ChemSpider 2D Image | N-Oxo-3-{1-[(phenylsulfanyl)methyl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}benzamide | C16H14N4O2S

N-Oxo-3-{1-[(phenylsulfanyl)methyl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}benzamide

  • Molecular FormulaC16H14N4O2S
  • Average mass326.373 Da
  • Monoisotopic mass326.083740 Da
  • ChemSpider ID57440896

More details:






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

Benzamide, 3-[2,3-dihydro-1-[(phenylthio)methyl]-1H-1,2,3-triazol-4-yl]-N-oxo- [ACD/Index Name]
N-Oxo-3-{1-[(phenylsulfanyl)methyl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}benzamid [German] [ACD/IUPAC Name]
N-Oxo-3-{1-[(phenylsulfanyl)methyl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}benzamide [ACD/IUPAC Name]
N-Oxo-3-{1-[(phénylsulfanyl)méthyl]-2,3-dihydro-1H-1,2,3-triazol-4-yl}benzamide [French] [ACD/IUPAC Name]
1316652-41-1 [RN]
N-HYDROXY-3-[1-(PHENYLTHIO)METHYL-1H-1,2,3-TRIAZOL-4-YL]BENZAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 516.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 266.0±32.9 °C
Index of Refraction: 1.691
Molar Refractivity: 91.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 8.10
ACD/KOC (pH 5.5): 100.43
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 36.04
ACD/KOC (pH 7.4): 446.90
Polar Surface Area: 99 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 238.6±7.0 cm3

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