ChemSpider 2D Image | (2S,3S)-1,4-Disulfanyl(~2~H_6_)butane-2,3-diol | C4H4D6O2S2

(2S,3S)-1,4-Disulfanyl(2H6)butane-2,3-diol

  • Molecular FormulaC4H4D6O2S2
  • Average mass160.288 Da
  • Monoisotopic mass160.049881 Da
  • ChemSpider ID24532508

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S)-1,4-Disulfanyl(2H6)butane-2,3-diol
(2S,3S)-1,4-Disulfanyl-2,3-(2H6)butandiol [German] [ACD/IUPAC Name]
(2S,3S)-1,4-Disulfanyl-2,3-(2H6)butanediol [ACD/IUPAC Name]
(2S,3S)-1,4-Disulfanyl-2,3-(2H6)butanediol [French] [ACD/IUPAC Name]
2,3-Butane-1,1,2,3,4,4-d6-diol, 1,4-dimercapto-, (2S,3S)- [ACD/Index Name]
(?)-1,4-Dithiothreitol-1,1,2,3,4,4-d6
(?)-threo-1,4-Dimercapto-2,3-butanediol, (?)-threo-2,3-Dihydroxy-1,4-butanedithiol, Cleland's Reagent, DTT
(±)-1,4-Dithiothreitol-1,1,2,3,4,4-d6
(±)-1,4-Dithiothreitol-1,1,2,3,4,4-d6
850153-85-4 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 364.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.7±6.0 kJ/mol
Flash Point: 174.2±27.9 °C
Index of Refraction: 1.579
Molar Refractivity: 39.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.53
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 25.21
Polar Surface Area: 118 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 118.4±3.0 cm3

Click to predict properties on the Chemicalize site


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