Found 1 result

Search term: COc1ccc(cc1)-c1snnc1-c1cc(Cl)c(O)cc1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | ICPD-26 | C15H11ClN2O3S

ICPD-26

  • Molecular FormulaC15H11ClN2O3S
  • Average mass334.777 Da
  • Monoisotopic mass334.017883 Da
  • ChemSpider ID24690239

More details:

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

1,3-Benzenediol, 4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]- [ACD/Index Name]
4-Chlor-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-Chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]-1,3-benzenediol [ACD/IUPAC Name]
4-Chloro-6-[5-(4-méthoxyphényl)-1,2,3-thiadiazol-4-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
ICPD-26
4-chloro-6-[5-(4-methoxyphenyl)-1,2,3-thiadiazol-4-yl]benzene-1,3-diol
ICPD 26
ICPD26
YI0
  • 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:90537

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

Density: 1.5±0.1 g/cm3
Boiling Point: 506.9±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: 1.669
Molar Refractivity: 85.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 131.58
ACD/KOC (pH 5.5): 1113.50
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 14.04
ACD/KOC (pH 7.4): 118.82
Polar Surface Area: 104 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 228.7±3.0 cm3

Click to predict properties on the Chemicalize site


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