ChemSpider 2D Image | 2-Thioxo-2,3-dihydro-1,3-benzothiazole-7-carbonitrile | C8H4N2S2

2-Thioxo-2,3-dihydro-1,3-benzothiazole-7-carbonitrile

  • Molecular FormulaC8H4N2S2
  • Average mass192.261 Da
  • Monoisotopic mass191.981583 Da
  • ChemSpider ID28561168

More details:

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

2-Thioxo-2,3-dihydro-1,3-benzothiazol-7-carbonitril [German] [ACD/IUPAC Name]
2-Thioxo-2,3-dihydro-1,3-benzothiazole-7-carbonitrile [ACD/IUPAC Name]
2-Thioxo-2,3-dihydro-1,3-benzothiazole-7-carbonitrile [French] [ACD/IUPAC Name]
7-Benzothiazolecarbonitrile, 2,3-dihydro-2-thioxo- [ACD/Index Name]
2-Sulfanylidene-2,3-dihydro-1,3-benzothiazole-7-carbonitrile
2-Thioxo-2,3-dihydrobenzo[d]thiazole-7-carbonitrile
920980-63-8 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 389.2±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 189.2±28.4 °C
Index of Refraction: 1.791
Molar Refractivity: 52.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 21.22
ACD/KOC (pH 5.5): 309.86
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.08
ACD/KOC (pH 7.4): 293.24
Polar Surface Area: 93 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 94.5±5.0 dyne/cm
Molar Volume: 124.2±5.0 cm3

Click to predict properties on the Chemicalize site


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