ChemSpider 2D Image | 5-Cyano-4-hydroxy-2-(methylsulfanyl)-3-thiophenecarboxylic acid | C7H5NO3S2

5-Cyano-4-hydroxy-2-(methylsulfanyl)-3-thiophenecarboxylic acid

  • Molecular FormulaC7H5NO3S2
  • Average mass215.249 Da
  • Monoisotopic mass214.971085 Da
  • ChemSpider ID45604490

More details:

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

3-Thiophenecarboxylic acid, 5-cyano-4-hydroxy-2-(methylthio)- [ACD/Index Name]
5-Cyan-4-hydroxy-2-(methylsulfanyl)-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Cyano-4-hydroxy-2-(methylsulfanyl)-3-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-cyano-4-hydroxy-2-(méthylsulfanyl)-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
1784077-03-7 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 373.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 179.5±27.9 °C
Index of Refraction: 1.706
Molar Refractivity: 49.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.10
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 19.8±0.5 10-24cm3
Surface Tension: 98.7±5.0 dyne/cm
Molar Volume: 128.3±5.0 cm3

Click to predict properties on the Chemicalize site


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