ChemSpider 2D Image | 2-Methyl-4-(propylsulfanyl)-1,3-thiazole-5-carboxylic acid | C8H11NO2S2

2-Methyl-4-(propylsulfanyl)-1,3-thiazole-5-carboxylic acid

  • Molecular FormulaC8H11NO2S2
  • Average mass217.308 Da
  • Monoisotopic mass217.023117 Da
  • ChemSpider ID35506987

More details:






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

1547490-49-2 [RN]
2-Methyl-4-(propylsulfanyl)-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
2-Methyl-4-(propylsulfanyl)-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
5-Thiazolecarboxylic acid, 2-methyl-4-(propylthio)- [ACD/Index Name]
Acide 2-méthyl-4-(propylsulfanyl)-1,3-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
2-Methyl-4-(propylthio)thiazole-5-carboxylic acid
2-methyl-4-propylsulfanyl-1,3-thiazole-5-carboxylic acid
2-Methyl-4-propylsulfanyl-thiazole-5-carboxylic acid
MFCD28247273

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

Density: 1.3±0.1 g/cm3
Boiling Point: 359.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 170.9±23.7 °C
Index of Refraction: 1.596
Molar Refractivity: 55.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 104 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 163.0±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement