ChemSpider 2D Image | 3-Methyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid | C8H11NO2S2

3-Methyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid

  • Molecular FormulaC8H11NO2S2
  • Average mass217.308 Da
  • Monoisotopic mass217.023117 Da
  • ChemSpider ID28637229

More details:

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

3-Methyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-Methyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2,3-dihydro-3-methyl-4-propyl-2-thioxo- [ACD/Index Name]
Acide 3-méthyl-4-propyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
1370051-36-7 [RN]
3-methyl-4-propyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid
3-methyl-4-propyl-2-thioxo-2,3-dihydrothiazole-5-carboxylic acid
3-Methyl-4-propyl-2-thioxo-2,3-dihydro-thiazole-5-carboxylic acid
AKOS024287279
MCULE-8358305422
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 329.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.9±6.0 kJ/mol
Flash Point: 153.3±30.7 °C
Index of Refraction: 1.653
Molar Refractivity: 57.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 3.48
ACD/KOC (pH 5.5): 67.07
ACD/LogD (pH 7.4): -0.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 98 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 156.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement