ChemSpider 2D Image | 2-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanamine | C6H12N4S

2-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanamine

  • Molecular FormulaC6H12N4S
  • Average mass172.251 Da
  • Monoisotopic mass172.078262 Da
  • ChemSpider ID23079743

More details:

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

2-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanamin [German] [ACD/IUPAC Name]
2-[(4,5-Dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanamine [ACD/IUPAC Name]
2-[(4,5-Diméthyl-4H-1,2,4-triazol-3-yl)sulfanyl]éthanamine [French] [ACD/IUPAC Name]
Ethanamine, 2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]- [ACD/Index Name]
{2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]ethyl}amine
2-(4,5-Dimethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethylamine
2-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)thio]ethanamine
MFCD13250111 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 353.3±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 167.5±28.4 °C
Index of Refraction: 1.642
Molar Refractivity: 47.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.10
Polar Surface Area: 82 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 130.3±7.0 cm3

Click to predict properties on the Chemicalize site


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