ChemSpider 2D Image | 4-Cyano-5-(methylthio)-2-thiophenecarboxylic acid | C7H5NO2S2

4-Cyano-5-(methylthio)-2-thiophenecarboxylic acid

  • Molecular FormulaC7H5NO2S2
  • Average mass199.250 Da
  • Monoisotopic mass198.976166 Da
  • ChemSpider ID25077132

More details:

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

116170-85-5 [RN]
2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)- [ACD/Index Name]
4-Cyan-5-(methylsulfanyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-Cyano-5-(methylsulfanyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
4-Cyano-5-(methylsulfanyl)thiophene-2-carboxylic acid
4-Cyano-5-(methylthio)-2-thiophenecarboxylic acid
4-Cyano-5-methylsulfanylthiophene-2-carboxylic acid
Acide 4-cyano-5-(méthylsulfanyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
MFCD12026743 [MDL number]
[116170-85-5] [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 396.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.2±3.0 kJ/mol
Flash Point: 193.6±27.9 °C
Index of Refraction: 1.659
Molar Refractivity: 48.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.02
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 77.5±5.0 dyne/cm
Molar Volume: 131.1±5.0 cm3

Click to predict properties on the Chemicalize site


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