ChemSpider 2D Image | 6-{[1-(2-Thienylmethyl)-1H-tetrazol-5-yl]sulfanyl}nicotinonitrile | C12H8N6S2

6-{[1-(2-Thienylmethyl)-1H-tetrazol-5-yl]sulfanyl}nicotinonitrile

  • Molecular FormulaC12H8N6S2
  • Average mass300.362 Da
  • Monoisotopic mass300.025177 Da
  • ChemSpider ID31418787

More details:

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

3-Pyridinecarbonitrile, 6-[[1-(2-thienylmethyl)-1H-tetrazol-5-yl]thio]- [ACD/Index Name]
6-{[1-(2-Thienylmethyl)-1H-tetrazol-5-yl]sulfanyl}nicotinonitril [German] [ACD/IUPAC Name]
6-{[1-(2-Thienylmethyl)-1H-tetrazol-5-yl]sulfanyl}nicotinonitrile [ACD/IUPAC Name]
6-{[1-(2-Thiénylméthyl)-1H-tétrazol-5-yl]sulfanyl}nicotinonitrile [French] [ACD/IUPAC 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: 571.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.6±32.9 °C
Index of Refraction: 1.803
Molar Refractivity: 83.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 1.87
ACD/BCF (pH 5.5): 15.61
ACD/KOC (pH 5.5): 248.85
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.61
ACD/KOC (pH 7.4): 248.85
Polar Surface Area: 134 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 195.7±7.0 cm3

Click to predict properties on the Chemicalize site


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