ChemSpider 2D Image | (2S,3S)-2,3-Disulfanylsuccinic acid | C4H6O4S2

(2S,3S)-2,3-Disulfanylsuccinic acid

  • Molecular FormulaC4H6O4S2
  • Average mass182.218 Da
  • Monoisotopic mass181.970749 Da
  • ChemSpider ID34984812

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-2,3-Disulfanylbernsteinsäure [German] [ACD/IUPAC Name]
(2S,3S)-2,3-Disulfanylsuccinic acid [ACD/IUPAC Name]
Acide (2S,3S)-2,3-disulfanylsuccinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2,3-dimercapto-, (2S,3S)- [ACD/Index Name]
(2R,3R)-2,3-bis-sulfanylbutanedioic acid
(2R,3R)-2,3-dimercaptobutanedioic acid
(2R,3R)-2,3-Dimercaptosuccinic acid
(2S,3R)-2,3-bis-sulfanylbutanedioic acid
(2S,3R)-2,3-dimercaptobutanedioic acid
(2S,3R)-2,3-dimercaptosuccinic acid
More...

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

NCGC00013217 [DBID]
NCIStruc1_000441 [DBID]
NCIStruc2_000609 [DBID]
NSC-16866 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 267.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.7±6.0 kJ/mol
Flash Point: 115.6±27.3 °C
Index of Refraction: 1.617
Molar Refractivity: 39.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 76.7±3.0 dyne/cm
Molar Volume: 112.7±3.0 cm3

Click to predict properties on the Chemicalize site


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