ChemSpider 2D Image | N-[4-Hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]methanesulfonamide | C9H10N4O3S2

N-[4-Hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]methanesulfonamide

  • Molecular FormulaC9H10N4O3S2
  • Average mass286.331 Da
  • Monoisotopic mass286.019440 Da
  • ChemSpider ID21624848

More details:

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

Methanesulfonamide, N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylthio)phenyl]- [ACD/Index Name]
N-[4-Hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]methanesulfonamide [ACD/IUPAC Name]
N-[4-Hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phényl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-[4-Hydroxy-3-(1H-1,2,4-triazol-3-ylsulfanyl)phenyl]methansulfonamid [German] [ACD/IUPAC Name]
N-[4-hydroxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]methanesulfonamide
N-[4-Hydroxy-3-(4H-[1,2,4]triazol-3-ylsulfanyl)-phenyl]-methanesulfonamide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 553.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 288.5±32.9 °C
Index of Refraction: 1.725
Molar Refractivity: 67.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.15
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.01
ACD/KOC (pH 5.5): 35.06
ACD/LogD (pH 7.4): 0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 21.45
Polar Surface Area: 142 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 103.9±5.0 dyne/cm
Molar Volume: 170.3±5.0 cm3

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