ChemSpider 2D Image | 5-Methyl-4-[(methylthio)methyl]-2-thiophenecarboxylic acid | C8H10O2S2

5-Methyl-4-[(methylthio)methyl]-2-thiophenecarboxylic acid

  • Molecular FormulaC8H10O2S2
  • Average mass202.294 Da
  • Monoisotopic mass202.012222 Da
  • ChemSpider ID28542953

More details:

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

1394041-05-4 [RN]
2-Thiophenecarboxylic acid, 5-methyl-4-[(methylthio)methyl]- [ACD/Index Name]
5-Methyl-4-[(methylsulfanyl)methyl]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Methyl-4-[(methylsulfanyl)methyl]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
5-methyl-4-[(methylsulfanyl)methyl]thiophene-2-carboxylic acid
5-Methyl-4-[(methylthio)methyl]-2-thiophenecarboxylic acid
Acide 5-méthyl-4-[(méthylsulfanyl)méthyl]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
MFCD22375418

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

Density: 1.3±0.1 g/cm3
Boiling Point: 356.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.5±3.0 kJ/mol
Flash Point: 169.5±27.9 °C
Index of Refraction: 1.615
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 2.32
ACD/KOC (pH 5.5): 20.56
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 91 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 154.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement