ChemSpider 2D Image | (3Z)-4-[(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino]-3-penten-2-one | C8H12N4OS

(3Z)-4-[(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino]-3-penten-2-one

  • Molecular FormulaC8H12N4OS
  • Average mass212.272 Da
  • Monoisotopic mass212.073181 Da
  • ChemSpider ID24742482

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-4-[(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino]-3-penten-2-on [German] [ACD/IUPAC Name]
(3Z)-4-[(3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino]-3-penten-2-one [ACD/IUPAC Name]
(3Z)-4-[(3-Méthyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino]-3-pentén-2-one [French] [ACD/IUPAC Name]
3-Penten-2-one, 4-[(1,5-dihydro-3-methyl-5-thioxo-4H-1,2,4-triazol-4-yl)amino]-, (3Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 300.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 135.3±28.4 °C
Index of Refraction: 1.634
Molar Refractivity: 57.6±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.98
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.19
Polar Surface Area: 89 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 161.2±7.0 cm3

Click to predict properties on the Chemicalize site


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