ChemSpider 2D Image | ICPD-47 | C16H13ClN2O3S

ICPD-47

  • Molecular FormulaC16H13ClN2O3S
  • Average mass348.804 Da
  • Monoisotopic mass348.033539 Da
  • ChemSpider ID24717157

More details:

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

1,3-Benzenediol, 4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]- [ACD/Index Name]
4-Chlor-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-Chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-Chloro-6-[5-(4-éthoxyphényl)-1,2,3-thiadiazol-4-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
ICPD-47
4-Chloro-6-[5-(4-Ethoxyphenyl)-1,2,3-Thiadiazol-4-Yl Benzene-1,3-Diol
4-chloro-6-[5-(4-ethoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
BZ8
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL517583/
ICPD 47
More...
  • Miscellaneous

    • Chemical Class:

      A member of the class of thiadiazoles that is 1,2,3-thiadiazole substituted at positions 4 and 5 by 2,4-dihydroxy-4-chlorophenyl and 4-methoxyphenyl groups respectively. ChEBI CHEBI:90538

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

Density: 1.4±0.1 g/cm3
Boiling Point: 514.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.6±3.0 kJ/mol
Flash Point: 265.1±30.7 °C
Index of Refraction: 1.655
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 241.97
ACD/KOC (pH 5.5): 1722.26
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 25.90
ACD/KOC (pH 7.4): 184.34
Polar Surface Area: 104 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 245.2±3.0 cm3

Click to predict properties on the Chemicalize site


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