ChemSpider 2D Image | 4-Chloro-2-(1-pyrrolidinyl)-1,3-thiazole-5-carboxylic acid | C8H9ClN2O2S

4-Chloro-2-(1-pyrrolidinyl)-1,3-thiazole-5-carboxylic acid

  • Molecular FormulaC8H9ClN2O2S
  • Average mass232.687 Da
  • Monoisotopic mass232.007324 Da
  • ChemSpider ID24793994

More details:






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

1211296-57-9 [RN]
4-Chlor-2-(1-pyrrolidinyl)-1,3-thiazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Chloro-2-(1-pyrrolidinyl)-1,3-thiazole-5-carboxylic acid [ACD/IUPAC Name]
4-chloro-2-(pyrrolidin-1-yl)-1,3-thiazole-5-carboxylic acid
5-Thiazolecarboxylic acid, 4-chloro-2-(1-pyrrolidinyl)- [ACD/Index Name]
Acide 4-chloro-2-(1-pyrrolidinyl)-1,3-thiazole-5-carboxylique [French] [ACD/IUPAC Name]
4-Chloro-2-(pyrrolidin-1-yl)thiazole-5-carboxylic acid
4-chloro-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxylic acid
4-Chloro-2-pyrrolidin-1-yl-thiazole-5-carboxylic acid
AC1Q729O
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point: 414.8±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 204.7±29.6 °C
Index of Refraction: 1.644
Molar Refractivity: 54.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -1.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 71.0±3.0 dyne/cm
Molar Volume: 151.1±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement