ChemSpider 2D Image | 4-(3-Ethyl-2-thienyl)-1,2-benzenediol | C12H12O2S

4-(3-Ethyl-2-thienyl)-1,2-benzenediol

  • Molecular FormulaC12H12O2S
  • Average mass220.288 Da
  • Monoisotopic mass220.055801 Da
  • ChemSpider ID23343503

More details:

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

1,2-Benzenediol, 4-(3-ethyl-2-thienyl)- [ACD/Index Name]
4-(3-Ethyl-2-thienyl)-1,2-benzenediol [ACD/IUPAC Name]
4-(3-Éthyl-2-thiényl)-1,2-benzènediol [French] [ACD/IUPAC Name]
4-(3-Ethyl-2-thienyl)-1,2-benzoldiol [German] [ACD/IUPAC Name]
4-(3-Ethylthiophen-2-yl)benzene-1,2-diol
1067911-46-9 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL445245/
MFCD23132923
W29

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

Density: 1.3±0.1 g/cm3
Boiling Point: 392.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.8±3.0 kJ/mol
Flash Point: 191.3±27.9 °C
Index of Refraction: 1.639
Molar Refractivity: 62.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 124.10
ACD/KOC (pH 5.5): 1097.27
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 121.79
ACD/KOC (pH 7.4): 1076.78
Polar Surface Area: 69 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 173.9±3.0 cm3

Click to predict properties on the Chemicalize site


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