ChemSpider 2D Image | 2-(Cyanodisulfanyl)-2,3-dihydro-1,3-benzothiazole | C8H6N2S3

2-(Cyanodisulfanyl)-2,3-dihydro-1,3-benzothiazole

  • Molecular FormulaC8H6N2S3
  • Average mass226.342 Da
  • Monoisotopic mass225.969315 Da
  • ChemSpider ID111289923

More details:

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

2-(Cyandisulfanyl)-2,3-dihydro-1,3-benzothiazol [German] [ACD/IUPAC Name]
2-(Cyanodisulfanyl)-2,3-dihydro-1,3-benzothiazole [ACD/IUPAC Name]
2-(Cyanodisulfanyl)-2,3-dihydro-1,3-benzothiazole [French] [ACD/IUPAC Name]
Benzothiazole, 2-(cyanodithio)-2,3-dihydro- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 419.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 207.7±31.5 °C
Index of Refraction: 1.770
Molar Refractivity: 61.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.23
ACD/KOC (pH 5.5): 752.25
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.23
ACD/KOC (pH 7.4): 752.25
Polar Surface Area: 112 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 148.2±5.0 cm3

Click to predict properties on the Chemicalize site


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