ChemSpider 2D Image | 1,2-Benzothiazole-4-carbonitrile | C8H4N2S

1,2-Benzothiazole-4-carbonitrile

  • Molecular FormulaC8H4N2S
  • Average mass160.196 Da
  • Monoisotopic mass160.009521 Da
  • ChemSpider ID45652919

More details:

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

1,2-Benzisothiazole-4-carbonitrile [ACD/Index Name]
1,2-Benzothiazol-4-carbonitril [German] [ACD/IUPAC Name]
1,2-Benzothiazole-4-carbonitrile [ACD/IUPAC Name]
1,2-Benzothiazole-4-carbonitrile [French] [ACD/IUPAC Name]
1015069-66-5 [RN]
1555795-60-2 [RN]
Benzo[d]isothiazole-4-carbonitrile
Benzo[d]isothiazole-6-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 235.6±22.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.2±3.0 kJ/mol
Flash Point: 96.3±22.3 °C
Index of Refraction: 1.690
Molar Refractivity: 44.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.96
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.49
ACD/KOC (pH 5.5): 312.56
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.54
ACD/KOC (pH 7.4): 313.33
Polar Surface Area: 65 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 117.3±5.0 cm3

Click to predict properties on the Chemicalize site


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