ChemSpider 2D Image | 5-(3-Buten-2-ylamino)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-3,5-dithiol | C7H14N4S2

5-(3-Buten-2-ylamino)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-3,5-dithiol

  • Molecular FormulaC7H14N4S2
  • Average mass218.343 Da
  • Monoisotopic mass218.065979 Da
  • ChemSpider ID60662940

More details:

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

1H-1,2,4-Triazole-3,5-dithiol, 4,5-dihydro-4-methyl-5-[(1-methyl-2-propen-1-yl)amino]- [ACD/Index Name]
5-(3-Buten-2-ylamino)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-3,5-dithiol [German] [ACD/IUPAC Name]
5-(3-Buten-2-ylamino)-4-methyl-4,5-dihydro-1H-1,2,4-triazole-3,5-dithiol [ACD/IUPAC Name]
5-(3-Butén-2-ylamino)-4-méthyl-4,5-dihydro-1H-1,2,4-triazole-3,5-dithiol [French] [ACD/IUPAC Name]
49597-59-3 [RN]
MFCD24559480

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

Density: 1.4±0.1 g/cm3
Boiling Point: 303.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.4±3.0 kJ/mol
Flash Point: 137.5±30.7 °C
Index of Refraction: 1.664
Molar Refractivity: 60.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.94
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 117 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 161.8±7.0 cm3

Click to predict properties on the Chemicalize site


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