ChemSpider 2D Image | (2S)-2-Amino-1,4-butanedithiol | C4H11NS2

(2S)-2-Amino-1,4-butanedithiol

  • Molecular FormulaC4H11NS2
  • Average mass137.267 Da
  • Monoisotopic mass137.033295 Da
  • ChemSpider ID32696684

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-1,4-butandithiol [German] [ACD/IUPAC Name]
(2S)-2-Amino-1,4-butanedithiol [ACD/IUPAC Name]
(2S)-2-Amino-1,4-butanedithiol [French] [ACD/IUPAC Name]
1,4-Butanedithiol, 2-amino-, (2S)- [ACD/Index Name]
(2S)-2-Amino-1,4-dimercaptobutane
(2S)-2-aminobutane-1,4-dithiol
(S)-2-Amino-1,4-butanedithiol
1363594-47-1 [RN]
136359-44-9 [RN]
Dithiobutylamin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 251.0±30.0 °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: 105.6±24.6 °C
Index of Refraction: 1.542
Molar Refractivity: 39.9±0.3 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.00
Polar Surface Area: 104 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 126.7±3.0 cm3

Click to predict properties on the Chemicalize site


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