Found 1247 results

Search term: C9H16O3S (Found by molecular formula)
ChemSpider 2D Image | 2-Hydroxy-2-(tetrahydro-2H-thiopyran-4-yl)butanoic acid | C9H16O3S

2-Hydroxy-2-(tetrahydro-2H-thiopyran-4-yl)butanoic acid

  • Molecular FormulaC9H16O3S
  • Average mass204.286 Da
  • Monoisotopic mass204.082016 Da
  • ChemSpider ID52476113

More details:

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

2H-Thiopyran-4-acetic acid, α-ethyltetrahydro-α-hydroxy- [ACD/Index Name]
2-Hydroxy-2-(tetrahydro-2H-thiopyran-4-yl)butanoic acid [ACD/IUPAC Name]
2-Hydroxy-2-(tetrahydro-2H-thiopyran-4-yl)butansäure [German] [ACD/IUPAC Name]
Acide 2-hydroxy-2-(tétrahydro-2H-thiopyrane-4-yl)butanoïque [French] [ACD/IUPAC Name]
1501719-52-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 385.1±12.0 °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: 186.7±19.6 °C
Index of Refraction: 1.552
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 164.3±3.0 cm3

Click to predict properties on the Chemicalize site


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