ChemSpider 2D Image | CHEMBRDG-BB 4012402 | C10H12N4S

CHEMBRDG-BB 4012402

  • Molecular FormulaC10H12N4S
  • Average mass220.294 Da
  • Monoisotopic mass220.078262 Da
  • ChemSpider ID21612719

More details:

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

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-propyl-5-(3-pyridinyl)- [ACD/Index Name]
4-propyl-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
4-Propyl-5-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-thion [German] [ACD/IUPAC Name]
4-Propyl-5-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [ACD/IUPAC Name]
4-Propyl-5-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione [French] [ACD/IUPAC Name]
4-propyl-5-(pyridin-3-yl)-2H-1,2,4-triazole-3-thione
4-Propyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
90871-44-6 [RN]
CHEMBRDG-BB 4012402
4-propyl-3-pyridin-3-yl-1H-1,2,4-triazole-5-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: 413.6±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.9±29.3 °C
Index of Refraction: 1.677
Molar Refractivity: 63.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.90
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 169.3±7.0 cm3

Click to predict properties on the Chemicalize site


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