Found 14 results

Search term: MF = 'C_{13}H_{7}NS_{3}'
ChemSpider 2D Image | 2,2':5',2''-Terthiophene-3'-carbonitrile | C13H7NS3

2,2':5',2''-Terthiophene-3'-carbonitrile

  • Molecular FormulaC13H7NS3
  • Average mass273.396 Da
  • Monoisotopic mass272.974060 Da
  • ChemSpider ID28560846

More details:

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

[2,2':5',2''-Terthiophene]-3'-carbonitrile [ACD/Index Name]
2,2':5',2''-Terthiophen-3'-carbonitril [German] [ACD/IUPAC Name]
2,2':5',2''-Terthiophene-3'-carbonitrile [ACD/IUPAC Name]
2,2':5',2''-Terthiophène-3'-carbonitrile [French] [ACD/IUPAC Name]
[12,22:25,32-Terthiophene]-23-carbonitrile
176787-98-7 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 430.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.3±28.7 °C
Index of Refraction: 1.721
Molar Refractivity: 75.2±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4106.39
ACD/KOC (pH 5.5): 13431.00
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4106.39
ACD/KOC (pH 7.4): 13431.00
Polar Surface Area: 109 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 190.1±5.0 cm3

Click to predict properties on the Chemicalize site


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