ChemSpider 2D Image | 4-[(Z)-({3-Butyl-5-[(1-naphthylmethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-2,6-dichloro-1,3-benzenediol | C24H22Cl2N4O2S

4-[(Z)-({3-Butyl-5-[(1-naphthylmethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-2,6-dichloro-1,3-benzenediol

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID60218365

  • Double-bond stereo - Double-bond stereo

More details:

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

1,3-Benzenediol, 4-[(Z)-[[3-butyl-5-[(1-naphthalenylmethyl)thio]-4H-1,2,4-triazol-4-yl]imino]methyl]-2,6-dichloro- [ACD/Index Name]
4-[(Z)-({3-Butyl-5-[(1-naphthylmethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-2,6-dichlor-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-[(Z)-({3-Butyl-5-[(1-naphthylmethyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)methyl]-2,6-dichloro-1,3-benzenediol [ACD/IUPAC Name]
4-[(Z)-({3-Butyl-5-[(1-naphtylméthyl)sulfanyl]-4H-1,2,4-triazol-4-yl}imino)méthyl]-2,6-dichloro-1,3-benzènediol [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 699.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 376.6±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 134.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 103063.05
ACD/KOC (pH 5.5): 90531.26
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 307.93
ACD/KOC (pH 7.4): 270.49
Polar Surface Area: 109 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 356.3±7.0 cm3

Click to predict properties on the Chemicalize site


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