ChemSpider 2D Image | 4H-1,4-Benzothiazine-2-carbonitrile | C9H6N2S

4H-1,4-Benzothiazine-2-carbonitrile

  • Molecular FormulaC9H6N2S
  • Average mass174.222 Da
  • Monoisotopic mass174.025162 Da
  • ChemSpider ID24958127

More details:

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

4H-1,4-Benzothiazin-2-carbonitril [German] [ACD/IUPAC Name]
4H-1,4-Benzothiazine-2-carbonitrile [ACD/Index Name] [ACD/IUPAC Name]
4H-1,4-Benzothiazine-2-carbonitrile [French] [ACD/IUPAC Name]
889877-07-0 [RN]
2-Cyano-4H-benzo-1,4-thiazine
4H-Benzo[1,4]thiazine-2-carbonitrile
4H-Benzo[b][1,4]thiazine-2-carbonitrile
MFCD11707060

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

Density: 1.4±0.1 g/cm3
Boiling Point: 271.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 117.8±27.3 °C
Index of Refraction: 1.700
Molar Refractivity: 49.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.46
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.38
ACD/KOC (pH 5.5): 301.16
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.38
ACD/KOC (pH 7.4): 301.16
Polar Surface Area: 61 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 129.0±5.0 cm3

Click to predict properties on the Chemicalize site


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