ChemSpider 2D Image | 4-(~2~H_3_)Methyl(~2~H_3_)-1,3-benzothiazole-2-(~2~H)thiol | C8D7NS2

4-(2H3)Methyl(2H3)-1,3-benzothiazole-2-(2H)thiol

  • Molecular FormulaC8D7NS2
  • Average mass188.321 Da
  • Monoisotopic mass188.045929 Da
  • ChemSpider ID8949294

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Benzothiazole-5,6,7-d3-thiol-d, 4-(methyl-d3)- [ACD/Index Name]
4-(2H3)Methyl(2H3)-1,3-benzothiazol-2-(2H)thiol [German] [ACD/IUPAC Name]
4-(2H3)Methyl(2H3)-1,3-benzothiazole-2-(2H)thiol [ACD/IUPAC Name]
4-(2H3)Méthyl(2H3)-1,3-benzothiazole-2-(2H)thiol [French] [ACD/IUPAC 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: 299.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.8±3.0 kJ/mol
Flash Point: 134.8±25.4 °C
Index of Refraction: 1.723
Molar Refractivity: 53.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 4.76
ACD/KOC (pH 5.5): 50.96
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.59
Polar Surface Area: 80 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 135.1±3.0 cm3

Click to predict properties on the Chemicalize site


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