ChemSpider 2D Image | 4-[5-(4-Ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethyl-1,3-benzenediol | C18H18N2O3S

4-[5-(4-Ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethyl-1,3-benzenediol

  • Molecular FormulaC18H18N2O3S
  • Average mass342.412 Da
  • Monoisotopic mass342.103821 Da
  • ChemSpider ID24715693

More details:

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

1,3-Benzenediol, 4-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethyl- [ACD/Index Name]
4-[5-(4-Ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethyl-1,3-benzenediol [ACD/IUPAC Name]
4-[5-(4-Éthoxyphényl)-1,2,3-thiadiazol-4-yl]-6-éthyl-1,3-benzènediol [French] [ACD/IUPAC Name]
4-[5-(4-Ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-6-ethyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-[5-(4-Ethoxyphenyl)-1,2,3-Thiadiazol-4-Yl]-6-Ethylbenzene-1,3-Diol
6QM
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514748/
ICPD62

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 260.4±30.7 °C
Index of Refraction: 1.630
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.57
ACD/KOC (pH 5.5): 1466.87
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 129.57
ACD/KOC (pH 7.4): 1018.71
Polar Surface Area: 104 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 266.1±3.0 cm3

Click to predict properties on the Chemicalize site


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