ChemSpider 2D Image | 4-(Bicyclo[2.2.1]hept-2-yl)-5-isopropyl-4H-1,2,4-triazole-3-thiol | C12H19N3S

4-(Bicyclo[2.2.1]hept-2-yl)-5-isopropyl-4H-1,2,4-triazole-3-thiol

  • Molecular FormulaC12H19N3S
  • Average mass237.364 Da
  • Monoisotopic mass237.129974 Da
  • ChemSpider ID21927631

More details:

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

3H-1,2,4-Triazole-3-thione, 4-bicyclo[2.2.1]hept-2-yl-2,4-dihydro-5-(1-methylethyl)- [ACD/Index Name]
4-(Bicyclo[2.2.1]hept-2-yl)-5-isopropyl-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-(Bicyclo[2.2.1]hept-2-yl)-5-isopropyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-(Bicyclo[2.2.1]hept-2-yl)-5-isopropyl-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-(Bicyclo[2.2.1]hept-2-yl)-5-isopropyl-4H-1,2,4-triazole-3-thiol
4H-1,2,4-triazole-3-thiol, 4-bicyclo[2.2.1]hept-2-yl-5-(1-methylethyl)-
1132929-56-6 [RN]
4-(3-bicyclo[2.2.1]heptanyl)-3-propan-2-yl-1H-1,2,4-triazole-5-thione
4-(bicyclo[2.2.1]hept-2-yl)-5-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-(bicyclo[2.2.1]hept-2-yl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 389.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 189.1±23.2 °C
Index of Refraction: 1.736
Molar Refractivity: 67.2±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 4.77
ACD/KOC (pH 5.5): 46.07
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.39
Polar Surface Area: 70 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 167.4±7.0 cm3

Click to predict properties on the Chemicalize site


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