ChemSpider 2D Image | 2,1-Benzothiazole-3(1H)-thione | C7H5NS2

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

  • Molecular FormulaC7H5NS2
  • Average mass167.251 Da
  • Monoisotopic mass166.986343 Da
  • ChemSpider ID62819489

More details:






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

2,1-Benzisothiazole-3(1H)-thione [ACD/Index Name]
2,1-Benzothiazol-3(1H)-thion [German] [ACD/IUPAC Name]
2,1-Benzothiazole-3(1H)-thione [ACD/IUPAC Name]
2,1-Benzothiazole-3(1H)-thione [French] [ACD/IUPAC Name]
83816-87-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 305.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.5±3.0 kJ/mol
Flash Point: 138.3±23.2 °C
Index of Refraction: 1.784
Molar Refractivity: 48.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.85
ACD/KOC (pH 5.5): 495.33
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.85
ACD/KOC (pH 7.4): 495.33
Polar Surface Area: 69 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 78.1±5.0 dyne/cm
Molar Volume: 114.3±5.0 cm3

Click to predict properties on the Chemicalize site






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