ChemSpider 2D Image | {(S)-Phenyl[(2-thienylacetyl)amino]methyl}boronic acid | C13H14BNO3S

{(S)-Phenyl[(2-thienylacetyl)amino]methyl}boronic acid

  • Molecular FormulaC13H14BNO3S
  • Average mass275.131 Da
  • Monoisotopic mass275.078735 Da
  • ChemSpider ID90637091

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{(S)-Phenyl[(2-thienylacetyl)amino]methyl}boronic acid [ACD/IUPAC Name]
{(S)-Phenyl[(2-thienylacetyl)amino]methyl}borsäure [German] [ACD/IUPAC Name]
Acide [(S)-phényl{[2-(2-thiényl)acétyl]amino}méthyl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[(S)-phenyl[[2-(2-thienyl)acetyl]amino]methyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.607
Molar Refractivity: 73.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.46
ACD/KOC (pH 5.5): 301.95
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.31
ACD/KOC (pH 7.4): 299.82
Polar Surface Area: 98 Å2
Polarizability: 29.1±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 212.6±3.0 cm3

Click to predict properties on the Chemicalize site


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