Found 762 results

Search term: MF = 'C_{11}H_{7}NO_{2}S'
ChemSpider 2D Image | 5-Cyano-3-methyl-1-benzothiophene-2-carboxylic acid | C11H7NO2S

5-Cyano-3-methyl-1-benzothiophene-2-carboxylic acid

  • Molecular FormulaC11H7NO2S
  • Average mass217.244 Da
  • Monoisotopic mass217.019745 Da
  • ChemSpider ID58180698

More details:

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

1803600-86-3 [RN]
5-Cyan-3-methyl-1-benzothiophen-2-carbonsäure [German] [ACD/IUPAC Name]
5-Cyano-3-methyl-1-benzothiophene-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-cyano-3-méthyl-1-benzothiophène-2-carboxylique [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-carboxylic acid, 5-cyano-3-methyl- [ACD/Index Name]
MFCD22490513

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

Density: 1.4±0.1 g/cm3
Boiling Point: 460.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.0±3.0 kJ/mol
Flash Point: 232.4±27.3 °C
Index of Refraction: 1.693
Molar Refractivity: 57.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.19
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.58
Polar Surface Area: 89 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 151.0±5.0 cm3

Click to predict properties on the Chemicalize site


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