ChemSpider 2D Image | Methyl 5-(chlorosulfonyl)-2-methyl-3-thiophenecarboxylate | C7H7ClO4S2

Methyl 5-(chlorosulfonyl)-2-methyl-3-thiophenecarboxylate

  • Molecular FormulaC7H7ClO4S2
  • Average mass254.711 Da
  • Monoisotopic mass253.947433 Da
  • ChemSpider ID62105032

More details:

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

2090072-28-7 [RN]
3-Thiophenecarboxylic acid, 5-(chlorosulfonyl)-2-methyl-, methyl ester [ACD/Index Name]
5-(Chlorosulfonyl)-2-méthyl-3-thiophènecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(chlorosulfonyl)-2-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
methyl 5-(chlorosulfonyl)-2-methylthiophene-3-carboxylate
Methyl-5-(chlorsulfonyl)-2-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
MFCD31629520

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

Density: 1.5±0.1 g/cm3
Boiling Point: 364.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 174.2±27.9 °C
Index of Refraction: 1.553
Molar Refractivity: 54.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.24
ACD/KOC (pH 5.5): 408.83
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.24
ACD/KOC (pH 7.4): 408.83
Polar Surface Area: 97 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 169.7±3.0 cm3

Click to predict properties on the Chemicalize site


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