Found 1 result

Search term: URSOFHABYVLXDS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | (4s,5s)-4,5-Bis(Mercaptomethyl)-1,3-Dioxolan-2-Ol | C5H10O3S2

(4s,5s)-4,5-Bis(Mercaptomethyl)-1,3-Dioxolan-2-Ol

  • Molecular FormulaC5H10O3S2
  • Average mass182.261 Da
  • Monoisotopic mass182.007141 Da
  • ChemSpider ID25057315
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4s,5s)-4,5-Bis(Mercaptomethyl)-1,3-Dioxolan-2-Ol
(4S,5S)-4,5-Bis(sulfanylmethyl)-1,3-dioxolan-2-ol [ACD/IUPAC Name]
(4S,5S)-4,5-Bis(sulfanylmethyl)-1,3-dioxolan-2-ol [German] [ACD/IUPAC Name]
(4S,5S)-4,5-Bis(sulfanylméthyl)-1,3-dioxolan-2-ol [French] [ACD/IUPAC Name]
1,3-Dioxolan-2-ol, 4,5-bis(mercaptomethyl)-, (4S,5S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 341.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 160.5±26.5 °C
Index of Refraction: 1.548
Molar Refractivity: 43.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): 0.31
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 35.36
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.76
Polar Surface Area: 116 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 138.0±3.0 cm3

Click to predict properties on the Chemicalize site






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