ChemSpider 2D Image | S-(5-Amino-3H-1,2,4-triazol-3-yl) hydrogen carbonothioate | C3H4N4O2S

S-(5-Amino-3H-1,2,4-triazol-3-yl) hydrogen carbonothioate

  • Molecular FormulaC3H4N4O2S
  • Average mass160.154 Da
  • Monoisotopic mass160.005493 Da
  • ChemSpider ID111125258

More details:

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

Carbonothioic acid, S-(5-amino-3H-1,2,4-triazol-3-yl) ester [ACD/Index Name]
Hydrogénocarbonothioate de S-(5-amino-3H-1,2,4-triazol-3-yle) [French] [ACD/IUPAC Name]
S-(5-Amino-3H-1,2,4-triazol-3-yl) hydrogen carbonothioate [ACD/IUPAC Name]
S-(5-Amino-3H-1,2,4-triazol-3-yl)hydrogencarbonothioat [German] [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 407.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 200.5±31.5 °C
Index of Refraction: 1.932
Molar Refractivity: 34.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -2.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 127.9±7.0 dyne/cm
Molar Volume: 72.2±7.0 cm3

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