ChemSpider 2D Image | 4-[(Z)-(3-Chloro-4-hydroxybenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one | C10H7ClN4O2S

4-[(Z)-(3-Chloro-4-hydroxybenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one

  • Molecular FormulaC10H7ClN4O2S
  • Average mass282.706 Da
  • Monoisotopic mass281.997833 Da
  • ChemSpider ID32103985

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2,4-Triazin-5(2H)-one, 4-[[(1Z)-(3-chloro-4-hydroxyphenyl)methylene]amino]-3,4-dihydro-3-thioxo- [ACD/Index Name]
4-[(Z)-(3-Chlor-4-hydroxybenzyliden)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-on [German] [ACD/IUPAC Name]
4-[(Z)-(3-Chloro-4-hydroxybenzylidene)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one [ACD/IUPAC Name]
4-[(Z)-(3-Chloro-4-hydroxybenzylidène)amino]-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 430.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 214.3±31.5 °C
Index of Refraction: 1.741
Molar Refractivity: 70.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 13.04
ACD/KOC (pH 5.5): 198.68
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.94
Polar Surface Area: 116 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 174.1±7.0 cm3

Click to predict properties on the Chemicalize site


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