ChemSpider 2D Image | thiopalmyrone | C7H10O3S

thiopalmyrone

  • Molecular FormulaC7H10O3S
  • Average mass174.217 Da
  • Monoisotopic mass174.035065 Da
  • ChemSpider ID26398771

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-6-(Hydroxymethyl)-4-methoxy-5,6-dihydro-2H-thiopyran-2-on [German] [ACD/IUPAC Name]
(6R)-6-(Hydroxymethyl)-4-methoxy-5,6-dihydro-2H-thiopyran-2-one [ACD/IUPAC Name]
(6R)-6-(Hydroxyméthyl)-4-méthoxy-5,6-dihydro-2H-thiopyrane-2-one [French] [ACD/IUPAC Name]
2H-Thiopyran-2-one, 5,6-dihydro-6-(hydroxymethyl)-4-methoxy-, (6R)- [ACD/Index Name]
thiopalmyrone
(2R)-2-(hydroxymethyl)-4-methoxy-2,3-dihydrothiopyran-6-one
1293988-32-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 351.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 69.0±6.0 kJ/mol
Flash Point: 166.3±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 43.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 51.23
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 51.23
Polar Surface Area: 72 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 134.8±5.0 cm3

Click to predict properties on the Chemicalize site


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