ChemSpider 2D Image | 6-Butyl-1,3-benzothiazole-2(3H)-thione | C11H13NS2

6-Butyl-1,3-benzothiazole-2(3H)-thione

  • Molecular FormulaC11H13NS2
  • Average mass223.358 Da
  • Monoisotopic mass223.048935 Da
  • ChemSpider ID14604059

More details:

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

2(3H)-Benzothiazolethione, 6-butyl- [ACD/Index Name]
6-Butyl-1,3-benzothiazol-2(3H)-thion [German] [ACD/IUPAC Name]
6-Butyl-1,3-benzothiazole-2(3H)-thione [ACD/IUPAC Name]
6-Butyl-1,3-benzothiazole-2(3H)-thione [French] [ACD/IUPAC Name]
131785-57-4 [RN]
2(3H)-Benzothiazolethione, 6-butyl- (9CI)
2(3H)-Benzothiazolethione,6-butyl-
2(3H)-Benzothiazolethione,6-butyl-(9CI)
6-butyl-1,3-benzothiazole-2-thiol
6-butylbenzo[d]thiazole-2(3H)-thione
More...

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

Density: 1.2±0.1 g/cm3
Boiling Point: 338.3±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 158.4±25.9 °C
Index of Refraction: 1.652
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 2.67
ACD/BCF (pH 5.5): 34.80
ACD/KOC (pH 5.5): 218.01
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.66
ACD/KOC (pH 7.4): 16.64
Polar Surface Area: 80 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 184.7±3.0 cm3

Click to predict properties on the Chemicalize site


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