ChemSpider 2D Image | N-[2-(3-Amino-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethyl]methanesulfonamide | C5H11N5O2S2

N-[2-(3-Amino-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethyl]methanesulfonamide

  • Molecular FormulaC5H11N5O2S2
  • Average mass237.303 Da
  • Monoisotopic mass237.035416 Da
  • ChemSpider ID46316232

More details:

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

Methanesulfonamide, N-[2-(3-amino-5-mercapto-4H-1,2,4-triazol-4-yl)ethyl]- [ACD/Index Name]
N-[2-(3-Amino-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethyl]methanesulfonamide [ACD/IUPAC Name]
N-[2-(3-Amino-5-sulfanyl-4H-1,2,4-triazol-4-yl)éthyl]méthanesulfonamide [French] [ACD/IUPAC Name]
N-[2-(3-Amino-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethyl]methansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 506.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 260.2±32.9 °C
Index of Refraction: 1.754
Molar Refractivity: 55.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -1.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 150 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 75.0±7.0 dyne/cm
Molar Volume: 134.4±7.0 cm3

Click to predict properties on the Chemicalize site


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