ChemSpider 2D Image | [1,2,3,4,5]Pentathiepino[6,7-c][1,2]thiazole-8-carbonitrile | C4N2S6

[1,2,3,4,5]Pentathiepino[6,7-c][1,2]thiazole-8-carbonitrile

  • Molecular FormulaC4N2S6
  • Average mass268.446 Da
  • Monoisotopic mass267.838562 Da
  • ChemSpider ID21408472

More details:






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

[1,2,3,4,5]Pentathiepino[6,7-c][1,2]thiazol-8-carbonitril [German] [ACD/IUPAC Name]
[1,2,3,4,5]Pentathiepino[6,7-c][1,2]thiazole-8-carbonitrile [ACD/IUPAC Name]
[1,2,3,4,5]Pentathiépino[6,7-c][1,2]thiazole-8-carbonitrile [French] [ACD/IUPAC Name]
1,2,3,4,5-Pentathiepino[6,7-c]isothiazole-8-carbonitrile [ACD/Index Name]
66393-25-7 [RN]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 445.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 223.1±31.5 °C
Index of Refraction: 1.963
Molar Refractivity: 65.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.69
ACD/BCF (pH 5.5): 65.41
ACD/KOC (pH 5.5): 693.84
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 65.41
ACD/KOC (pH 7.4): 693.84
Polar Surface Area: 191 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 142.1±5.0 dyne/cm
Molar Volume: 133.9±5.0 cm3

Click to predict properties on the Chemicalize site






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