ChemSpider 2D Image | 2-[4-(~2~H_3_)Methylphenyl]-1,3-benzothiazol-4-ol | C14H8D3NOS

2-[4-(2H3)Methylphenyl]-1,3-benzothiazol-4-ol

  • Molecular FormulaC14H8D3NOS
  • Average mass244.327 Da
  • Monoisotopic mass244.074966 Da
  • ChemSpider ID8999505

  • Non-standard isotope - Non-standard isotope

More details:

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

2-[4-(2H3)Methylphenyl]-1,3-benzothiazol-4-ol [ACD/IUPAC Name]
2-[4-(2H3)Methylphenyl]-1,3-benzothiazol-4-ol [German] [ACD/IUPAC Name]
2-[4-(2H3)Méthylphényl]-1,3-benzothiazol-4-ol [French] [ACD/IUPAC Name]
4-Benzothiazolol, 2-[4-(methyl-d3)phenyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 427.3±47.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 212.2±29.3 °C
Index of Refraction: 1.699
Molar Refractivity: 71.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 294.88
ACD/KOC (pH 5.5): 2033.96
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 181.03
ACD/KOC (pH 7.4): 1248.70
Polar Surface Area: 61 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 186.2±3.0 cm3

Click to predict properties on the Chemicalize site


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