ChemSpider 2D Image | (4R)-2-(1H-Indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate | C12H9N2O2S

(4R)-2-(1H-Indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate

  • Molecular FormulaC12H9N2O2S
  • Average mass245.278 Da
  • Monoisotopic mass245.039017 Da
  • ChemSpider ID34448545

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2-(1H-Indol-3-yl)-4,5-dihydro-1,3-thiazol-4-carboxylat [German] [ACD/IUPAC Name]
(4R)-2-(1H-Indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate [ACD/IUPAC Name]
(4R)-2-(1H-Indol-3-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate [French] [ACD/IUPAC Name]
4-Thiazolecarboxylic acid, 4,5-dihydro-2-(1H-indol-3-yl)-, ion(1-), (4R)- [ACD/Index Name]
(R)-dihydrocamalexate
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion that is the conjugate base of (R)-dihydrocamalexic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. ChEBI CHEBI:79200

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

Density:
Boiling Point: 554.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.9±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.01
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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