ChemSpider 2D Image | 1-(1,2,3,4-Thiatriazol-5-yl)methanamine | C2H4N4S

1-(1,2,3,4-Thiatriazol-5-yl)methanamine

  • Molecular FormulaC2H4N4S
  • Average mass116.145 Da
  • Monoisotopic mass116.015663 Da
  • ChemSpider ID61791237

More details:

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

1-(1,2,3,4-Thiatriazol-5-yl)methanamin [German] [ACD/IUPAC Name]
1-(1,2,3,4-Thiatriazol-5-yl)methanamine [ACD/IUPAC Name]
1-(1,2,3,4-Thiatriazol-5-yl)méthanamine [French] [ACD/IUPAC Name]
1,2,3,4-Thiatriazole-5-methanamine [ACD/Index Name]
1083299-62-0 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 233.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.0±3.0 kJ/mol
Flash Point: 95.0±27.9 °C
Index of Refraction: 1.613
Molar Refractivity: 27.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -1.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.18
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.76
Polar Surface Area: 93 Å2
Polarizability: 10.8±0.5 10-24cm3
Surface Tension: 85.2±3.0 dyne/cm
Molar Volume: 78.6±3.0 cm3

Click to predict properties on the Chemicalize site


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