ChemSpider 2D Image | 3-Hydroxy-3-methyl-5-sulfanylpentanoic acid | C6H12O3S

3-Hydroxy-3-methyl-5-sulfanylpentanoic acid

  • Molecular FormulaC6H12O3S
  • Average mass164.223 Da
  • Monoisotopic mass164.050720 Da
  • ChemSpider ID28689697

More details:

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

3-Hydroxy-3-methyl-5-sulfanylpentanoic acid [ACD/IUPAC Name]
3-Hydroxy-3-methyl-5-sulfanylpentansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-3-méthyl-5-sulfanylpentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 3-hydroxy-5-mercapto-3-methyl- [ACD/Index Name]
88407-21-0 [RN]
MFCD20643140

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

Density: 1.2±0.1 g/cm3
Boiling Point: 324.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.6±6.0 kJ/mol
Flash Point: 149.7±26.5 °C
Index of Refraction: 1.522
Molar Refractivity: 40.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.11
ACD/LogD (pH 5.5): -1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.66
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 133.8±3.0 cm3

Click to predict properties on the Chemicalize site


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