ChemSpider 2D Image | (2R,3S) 3-amino-4-mercapto-2-butanol | C4H11NOS

(2R,3S) 3-amino-4-mercapto-2-butanol

  • Molecular FormulaC4H11NOS
  • Average mass121.201 Da
  • Monoisotopic mass121.056137 Da
  • ChemSpider ID25056974

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S) 3-amino-4-mercapto-2-butanol
(2R,3S)-3-Amino-4-sulfanyl-2-butanol [ACD/IUPAC Name]
(2R,3S)-3-Amino-4-sulfanyl-2-butanol [German] [ACD/IUPAC Name]
(2R,3S)-3-Amino-4-sulfanyl-2-butanol [French] [ACD/IUPAC Name]
2-Butanol, 3-amino-4-mercapto-, (2R,3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 259.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 57.7±6.0 kJ/mol
Flash Point: 110.5±24.6 °C
Index of Refraction: 1.517
Molar Refractivity: 33.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): -2.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.14
Polar Surface Area: 85 Å2
Polarizability: 13.3±0.5 10-24cm3
Surface Tension: 43.4±3.0 dyne/cm
Molar Volume: 110.5±3.0 cm3

Click to predict properties on the Chemicalize site


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