ChemSpider 2D Image | CHEMBRDG-BB 4012403 | C10H12N4S

CHEMBRDG-BB 4012403

  • Molecular FormulaC10H12N4S
  • Average mass220.294 Da
  • Monoisotopic mass220.078262 Da
  • ChemSpider ID21612720

More details:

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

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(1-methylethyl)-5-(3-pyridinyl)- [ACD/Index Name]
4-(propan-2-yl)-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
4-(propan-2-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
4-Isopropyl-5-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Isopropyl-5-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Isopropyl-5-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-isopropyl-5-(pyridin-3-yl)-2H-1,2,4-triazole-3-thione
90871-42-4 [RN]
CHEMBRDG-BB 4012403
4-(Propan-2-yl)-5-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 405.7±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.1±29.3 °C
Index of Refraction: 1.679
Molar Refractivity: 63.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.48
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 45.7±7.0 dyne/cm
Molar Volume: 168.4±7.0 cm3

Click to predict properties on the Chemicalize site


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