ChemSpider 2D Image | 4,6-Dimethyl-2(3H)-benzothiazolethione | C9H9NS2

4,6-Dimethyl-2(3H)-benzothiazolethione

  • Molecular FormulaC9H9NS2
  • Average mass195.305 Da
  • Monoisotopic mass195.017639 Da
  • ChemSpider ID24005946

More details:

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

2(3H)-Benzothiazolethione, 4,6-dimethyl- [ACD/Index Name]
4,6-Dimethyl-1,3-benzothiazol-2(3H)-thion [German] [ACD/IUPAC Name]
4,6-Dimethyl-1,3-benzothiazole-2(3H)-thione [ACD/IUPAC Name]
4,6-Diméthyl-1,3-benzothiazole-2(3H)-thione [French] [ACD/IUPAC Name]
4,6-Dimethyl-2(3H)-benzothiazolethione
80689-36-7 [RN]
2(3H)-Benzothiazolethione, 4,6-dimethyl- (9CI)
4,6-dimethyl-1,3-benzothiazole-2-thiol
4,6-dimethylbenzo[d]thiazole-2(3H)-thione
MFCD31422144

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

Density: 1.3±0.1 g/cm3
Boiling Point: 326.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.8±3.0 kJ/mol
Flash Point: 151.0±30.7 °C
Index of Refraction: 1.713
Molar Refractivity: 57.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 128.45
ACD/KOC (pH 5.5): 1124.67
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 128.08
ACD/KOC (pH 7.4): 1121.47
Polar Surface Area: 69 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 146.4±5.0 cm3

Click to predict properties on the Chemicalize site


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