ChemSpider 2D Image | Hexahydro-1,3-benzothiazole-2(3H)-thione | C7H11NS2

Hexahydro-1,3-benzothiazole-2(3H)-thione

  • Molecular FormulaC7H11NS2
  • Average mass173.299 Da
  • Monoisotopic mass173.033295 Da
  • ChemSpider ID27318573

More details:

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

2(3H)-Benzothiazolethione, hexahydro- [ACD/Index Name]
Hexahydro-1,3-benzothiazol-2(3H)-thion [German] [ACD/IUPAC Name]
Hexahydro-1,3-benzothiazole-2(3H)-thione [ACD/IUPAC Name]
Hexahydro-1,3-benzothiazole-2(3H)-thione [French] [ACD/IUPAC Name]
2-benzothiazolethiol, 3a,4,5,6,7,7a-hexahydro-
3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-2-thiol
89776-06-7 [RN]
MFCD20669660

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

Density: 1.5±0.1 g/cm3
Boiling Point: 270.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.9±3.0 kJ/mol
Flash Point: 117.6±22.6 °C
Index of Refraction: 1.764
Molar Refractivity: 47.9±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): -0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 76 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 115.9±7.0 cm3

Click to predict properties on the Chemicalize site


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