ChemSpider 2D Image | 5-[(Phenylsulfonyl)methyl]-2-thiophenecarboxylic acid | C12H10O4S2

5-[(Phenylsulfonyl)methyl]-2-thiophenecarboxylic acid

  • Molecular FormulaC12H10O4S2
  • Average mass282.335 Da
  • Monoisotopic mass282.002045 Da
  • ChemSpider ID43361126

More details:

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

2-Thiophenecarboxylic acid, 5-[(phenylsulfonyl)methyl]- [ACD/Index Name]
5-[(Phenylsulfonyl)methyl]-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-[(Phenylsulfonyl)methyl]-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-[(phénylsulfonyl)méthyl]-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
5-[(Benzenesulfonyl)methyl]thiophene-2-carboxylic acid
61855-06-9 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.1±3.0 kJ/mol
Flash Point: 289.9±30.1 °C
Index of Refraction: 1.634
Molar Refractivity: 69.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.67
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 193.9±3.0 cm3

Click to predict properties on the Chemicalize site


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