Found 4 results

Search term: MF = 'C_{9}H_{7}O_{2}S'
ChemSpider 2D Image | (2S,3S)-3-Phenyl-2-thiiranecarboxylate | C9H7O2S

(2S,3S)-3-Phenyl-2-thiiranecarboxylate

  • Molecular FormulaC9H7O2S
  • Average mass179.216 Da
  • Monoisotopic mass179.017227 Da
  • ChemSpider ID77418952

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-Phenyl-2-thiirancarboxylat [German] [ACD/IUPAC Name]
(2S,3S)-3-Phenyl-2-thiiranecarboxylate [ACD/IUPAC Name]
(2S,3S)-3-Phényl-2-thiiranecarboxylate [French] [ACD/IUPAC Name]
2-Thiiranecarboxylic acid, 3-phenyl-, ion(1-), (2S,3S)- [ACD/Index Name]

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

Density:
Boiling Point: 380.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 183.6±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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