ChemSpider 2D Image | 3-ETHENYL-2(3H)-BENZOTHIAZOLETHIONE | C9H7NS2

3-ETHENYL-2(3H)-BENZOTHIAZOLETHIONE

  • Molecular FormulaC9H7NS2
  • Average mass193.289 Da
  • Monoisotopic mass193.001984 Da
  • ChemSpider ID14846067

More details:

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

2(3H)-Benzothiazolethione, 3-ethenyl- [ACD/Index Name]
3-ETHENYL-2(3H)-BENZOTHIAZOLETHIONE
3-Vinyl-1,3-benzothiazol-2(3H)-thion [German] [ACD/IUPAC Name]
3-Vinyl-1,3-benzothiazole-2(3H)-thione [ACD/IUPAC Name]
3-Vinyl-1,3-benzothiazole-2(3H)-thione [French] [ACD/IUPAC Name]
52534-91-5 [RN]
2(3H)-Benzothiazolethione, 3-ethenyl- (9CI)
3-vinylbenzo[d]thiazole-2(3H)-thione
MFCD00715928

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

Density: 1.4±0.1 g/cm3
Boiling Point: 311.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.2±3.0 kJ/mol
Flash Point: 142.2±23.2 °C
Index of Refraction: 1.746
Molar Refractivity: 57.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.74
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.51
ACD/KOC (pH 5.5): 526.75
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.51
ACD/KOC (pH 7.4): 526.75
Polar Surface Area: 61 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 141.4±5.0 cm3

Click to predict properties on the Chemicalize site


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