ChemSpider 2D Image | 2-{[({[(5-Chloro-2-thienyl)methyl]sulfanyl}acetyl)amino]methyl}-1,3-thiazole-4-carboxylic acid | C12H11ClN2O3S3

2-{[({[(5-Chloro-2-thienyl)methyl]sulfanyl}acetyl)amino]methyl}-1,3-thiazole-4-carboxylic acid

  • Molecular FormulaC12H11ClN2O3S3
  • Average mass362.875 Da
  • Monoisotopic mass361.962036 Da
  • ChemSpider ID49437199

More details:

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

2-{[({[(5-Chlor-2-thienyl)methyl]sulfanyl}acetyl)amino]methyl}-1,3-thiazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-{[({[(5-Chloro-2-thienyl)methyl]sulfanyl}acetyl)amino]methyl}-1,3-thiazole-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 2-[[[2-[[(5-chloro-2-thienyl)methyl]thio]acetyl]amino]methyl]- [ACD/Index Name]
Acide 2-{[(2-{[(5-chloro-2-thiényl)méthyl]sulfanyl}acétyl)amino]méthyl}-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: 1.6±0.1 g/cm3
Boiling Point: 616.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 326.8±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 13.64
ACD/LogD (pH 7.4): -0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 232.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement