ChemSpider 2D Image | 5-(2-Methyl-1,3-thiazol-4-yl)-3-thiophenecarboxylic acid | C9H7NO2S2

5-(2-Methyl-1,3-thiazol-4-yl)-3-thiophenecarboxylic acid

  • Molecular FormulaC9H7NO2S2
  • Average mass225.287 Da
  • Monoisotopic mass224.991821 Da
  • ChemSpider ID25996311

More details:

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

1193389-32-0 [RN]
3-Thiophenecarboxylic acid, 5-(2-methyl-4-thiazolyl)- [ACD/Index Name]
5-(2-Methyl-1,3-thiazol-4-yl)-3-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-(2-Methyl-1,3-thiazol-4-yl)-3-thiophenecarboxylic acid [ACD/IUPAC Name]
5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-carboxylic acid
Acide 5-(2-méthyl-1,3-thiazol-4-yl)-3-thiophènecarboxylique [French] [ACD/IUPAC Name]
MFCD12913122 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 434.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 216.5±25.9 °C
Index of Refraction: 1.660
Molar Refractivity: 57.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.79
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 155.7±3.0 cm3

Click to predict properties on the Chemicalize site


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