ChemSpider 2D Image | (2S)-2-Amino-3-phenyl-1-propanethiol | C9H13NS

(2S)-2-Amino-3-phenyl-1-propanethiol

  • Molecular FormulaC9H13NS
  • Average mass167.271 Da
  • Monoisotopic mass167.076874 Da
  • ChemSpider ID23133282

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-phenyl-1-propanethiol [ACD/IUPAC Name]
(2S)-2-Amino-3-phényl-1-propanethiol [French] [ACD/IUPAC Name]
(2S)-2-Amino-3-phenyl-1-propanthiol [German] [ACD/IUPAC Name]
Benzenepropanethiol, β-amino-, (βS)- [ACD/Index Name]
(2S)-2-amino-3-phenylpropane-1-thiol
(S)-2-Amino-3-phenyl-propane-1-thiol
116264-32-5 [RN]
2-Amino-3-phenyl-propane-1-thiol
CHEMBL34907

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

Density: 1.1±0.1 g/cm3
Boiling Point: 268.7±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.7±3.0 kJ/mol
Flash Point: 116.3±25.4 °C
Index of Refraction: 1.575
Molar Refractivity: 51.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.99
ACD/KOC (pH 7.4): 28.23
Polar Surface Area: 65 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 156.9±3.0 cm3

Click to predict properties on the Chemicalize site


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