ChemSpider 2D Image | (2S)-2-Amino-4-(methylsulfanyl)-1-butanethiol | C5H13NS2

(2S)-2-Amino-4-(methylsulfanyl)-1-butanethiol

  • Molecular FormulaC5H13NS2
  • Average mass151.293 Da
  • Monoisotopic mass151.048935 Da
  • ChemSpider ID18898632

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-(methylsulfanyl)-1-butanethiol [ACD/IUPAC Name]
(2S)-2-Amino-4-(méthylsulfanyl)-1-butanethiol [French] [ACD/IUPAC Name]
(2S)-2-Amino-4-(methylsulfanyl)-1-butanthiol [German] [ACD/IUPAC Name]
(2S)-2-amino-4-(methylsulfanyl)butane-1-thiol
1-Butanethiol, 2-amino-4-(methylthio)-, (2S)- [ACD/Index Name]
(S)-2-Amino-4-methylsulfanyl-butane-1-thiol
139428-86-7 [RN]
CHEMBL36661

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

Density: 1.1±0.1 g/cm3
Boiling Point: 250.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.8±3.0 kJ/mol
Flash Point: 105.4±25.9 °C
Index of Refraction: 1.536
Molar Refractivity: 44.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.40
Polar Surface Area: 90 Å2
Polarizability: 17.7±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 143.1±3.0 cm3

Click to predict properties on the Chemicalize site


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