ChemSpider 2D Image | 2-(3-Methyl-1,4-dithian-2-yl)-1,3-thiazole-4-carboxylic acid | C9H11NO2S3

2-(3-Methyl-1,4-dithian-2-yl)-1,3-thiazole-4-carboxylic acid

  • Molecular FormulaC9H11NO2S3
  • Average mass261.384 Da
  • Monoisotopic mass260.995178 Da
  • ChemSpider ID41182973

More details:

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

2-(3-Methyl-1,4-dithian-2-yl)-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-(3-Methyl-1,4-dithian-2-yl)-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-(3-methyl-1,4-dithian-2-yl)- [ACD/Index Name]
Acide 2-(3-méthyl-1,4-dithian-2-yl)-1,3-thiazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 481.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 245.0±28.7 °C
Index of Refraction: 1.649
Molar Refractivity: 67.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.42
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 64.3±3.0 dyne/cm
Molar Volume: 184.8±3.0 cm3

Click to predict properties on the Chemicalize site


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