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

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

  • Molecular FormulaC5H11N5O2S2
  • Average mass237.303 Da
  • Monoisotopic mass237.035416 Da
  • ChemSpider ID74977088

More details:

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

Methanesulfonamide, N-[2-[(3-amino-1H-1,2,4-triazol-5-yl)thio]ethyl]- [ACD/Index Name]
N-{2-[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]ethyl}methanesulfonamide [ACD/IUPAC Name]
N-{2-[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]éthyl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{2-[(3-Amino-1H-1,2,4-triazol-5-yl)sulfanyl]ethyl}methansulfonamid [German] [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: 541.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.0±32.9 °C
Index of Refraction: 1.644
Molar Refractivity: 54.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.25
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.27
Polar Surface Area: 147 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 92.5±5.0 dyne/cm
Molar Volume: 149.8±5.0 cm3

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