ChemSpider 2D Image | O,O'-[(2S,3S)-2,3-Dihydroxy-1,4-butanediyl] diethanethioate | C8H14O4S2

O,O'-[(2S,3S)-2,3-Dihydroxy-1,4-butanediyl] diethanethioate

  • Molecular FormulaC8H14O4S2
  • Average mass238.324 Da
  • Monoisotopic mass238.033356 Da
  • ChemSpider ID24599471

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Diéthanethioate de O,O'-[(2S,3S)-2,3-dihydroxy-1,4-butanediyle] [French] [ACD/IUPAC Name]
Ethanethioic acid, O,O'-[(2S,3S)-2,3-dihydroxy-1,4-butanediyl] ester [ACD/Index Name]
O,O'-[(2S,3S)-2,3-Dihydroxy-1,4-butandiyl]-diethanthioat [German] [ACD/IUPAC Name]
O,O'-[(2S,3S)-2,3-Dihydroxy-1,4-butanediyl] diethanethioate [ACD/IUPAC Name]
(2S,3S)-1,4-bis(thioxoethoxy)butane-2,3-diol
37180-64-6 [RN]
Ethanethioic acid, S,S-(2,3-dihydroxy-1,4-butanediyl) ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 384.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.3±6.0 kJ/mol
Flash Point: 186.5±30.7 °C
Index of Refraction: 1.587
Molar Refractivity: 60.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.34
ACD/KOC (pH 5.5): 172.28
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 9.34
ACD/KOC (pH 7.4): 172.28
Polar Surface Area: 123 Å2
Polarizability: 23.9±0.5 10-24cm3
Surface Tension: 66.4±3.0 dyne/cm
Molar Volume: 179.1±3.0 cm3

Click to predict properties on the Chemicalize site


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