ChemSpider 2D Image | (2S)-2-[4-(1,3-Thiazol-2-yloxy)phenyl]propanoic acid | C12H11NO3S

(2S)-2-[4-(1,3-Thiazol-2-yloxy)phenyl]propanoic acid

  • Molecular FormulaC12H11NO3S
  • Average mass249.286 Da
  • Monoisotopic mass249.045959 Da
  • ChemSpider ID34991553

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[4-(1,3-Thiazol-2-yloxy)phenyl]propanoic acid [ACD/IUPAC Name]
(2S)-2-[4-(1,3-Thiazol-2-yloxy)phenyl]propansäure [German] [ACD/IUPAC Name]
113403-17-1 [RN]
Acide (2S)-2-[4-(1,3-thiazol-2-yloxy)phényl]propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-4-(2-thiazolyloxy)-, (αS)- [ACD/Index Name]
56355-17-0 [RN]
UNII-J2GC047H27
Zoliprofen [INN]
ZOLIPROFEN, (S)-

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

68V98AVZ4Y [DBID]
UNII:68V98AVZ4Y [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 414.4±47.0 °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: 204.4±29.3 °C
Index of Refraction: 1.609
Molar Refractivity: 64.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 2.24
ACD/KOC (pH 5.5): 27.07
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 25.7±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 187.4±3.0 cm3

Click to predict properties on the Chemicalize site


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