ChemSpider 2D Image | (3S)-4-Amino-3-(2-thienyl)butanoic acid | C8H11NO2S

(3S)-4-Amino-3-(2-thienyl)butanoic acid

  • Molecular FormulaC8H11NO2S
  • Average mass185.243 Da
  • Monoisotopic mass185.051056 Da
  • ChemSpider ID23147261

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-Amino-3-(2-thienyl)butanoic acid [ACD/IUPAC Name]
(3S)-4-Amino-3-(2-thienyl)butansäure [German] [ACD/IUPAC Name]
2-Thiophenepropanoic acid, β-(aminomethyl)-, (βS)- [ACD/Index Name]
Acide (3S)-4-amino-3-(2-thiényl)butanoïque [French] [ACD/IUPAC Name]
(3S)-4-amino-3-(thiophen-2-yl)butanoic acid
4-Amino-3-thiophen-2-yl-butyric acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 345.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.2±3.0 kJ/mol
Flash Point: 162.9±25.1 °C
Index of Refraction: 1.590
Molar Refractivity: 48.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 143.8±3.0 cm3

Click to predict properties on the Chemicalize site


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