ChemSpider 2D Image | 1,3-Benzothiazole-2-(~2~H)thiol | C7H4DNS2

1,3-Benzothiazole-2-(2H)thiol

  • Molecular FormulaC7H4DNS2
  • Average mass168.258 Da
  • Monoisotopic mass167.992615 Da
  • ChemSpider ID95588171

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzothiazol-2-(2H)thiol [German] [ACD/IUPAC Name]
1,3-Benzothiazole-2-(2H)thiol [ACD/IUPAC Name]
1,3-Benzothiazole-2-(2H)thiol [French] [ACD/IUPAC Name]
2-Benzothiazolethiol-d [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 281.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 123.9±22.6 °C
Index of Refraction: 1.757
Molar Refractivity: 48.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 3.97
ACD/KOC (pH 5.5): 50.01
ACD/LogD (pH 7.4): 0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.06
Polar Surface Area: 80 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 64.5±3.0 dyne/cm
Molar Volume: 118.9±3.0 cm3

Click to predict properties on the Chemicalize site


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