ChemSpider 2D Image | 2-(3-Buten-2-ylamino)-5-(methylamino)-2,3-dihydro-1,3,4-thiadiazole-2-thiol | C7H14N4S2

2-(3-Buten-2-ylamino)-5-(methylamino)-2,3-dihydro-1,3,4-thiadiazole-2-thiol

  • Molecular FormulaC7H14N4S2
  • Average mass218.343 Da
  • Monoisotopic mass218.065979 Da
  • ChemSpider ID60664810

More details:

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

1,3,4-Thiadiazole-2-thiol, 2,3-dihydro-5-(methylamino)-2-[(1-methyl-2-propen-1-yl)amino]- [ACD/Index Name]
2-(3-Buten-2-ylamino)-5-(methylamino)-2,3-dihydro-1,3,4-thiadiazol-2-thiol [German] [ACD/IUPAC Name]
2-(3-Buten-2-ylamino)-5-(methylamino)-2,3-dihydro-1,3,4-thiadiazole-2-thiol [ACD/IUPAC Name]
2-(3-Butén-2-ylamino)-5-(méthylamino)-2,3-dihydro-1,3,4-thiadiazole-2-thiol [French] [ACD/IUPAC Name]
49597-63-9 [RN]
MFCD24575880

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

Density: 1.4±0.1 g/cm3
Boiling Point: 327.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 151.5±30.7 °C
Index of Refraction: 1.659
Molar Refractivity: 59.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.77
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.80
ACD/KOC (pH 5.5): 137.02
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.12
ACD/KOC (pH 7.4): 103.18
Polar Surface Area: 113 Å2
Polarizability: 23.6±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 161.5±7.0 cm3

Click to predict properties on the Chemicalize site


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