ChemSpider 2D Image | S-(2,4,6-Triisopropylphenyl) (2R,3S)-3-hydroxy-2,4,4-trimethylpentanethioate | C23H38O2S

S-(2,4,6-Triisopropylphenyl) (2R,3S)-3-hydroxy-2,4,4-trimethylpentanethioate

  • Molecular FormulaC23H38O2S
  • Average mass378.612 Da
  • Monoisotopic mass378.259247 Da
  • ChemSpider ID74092570

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-Hydroxy-2,4,4-triméthylpentanethioate de S-(2,4,6-triisopropylphényle) [French] [ACD/IUPAC Name]
Pentanethioic acid, 3-hydroxy-2,4,4-trimethyl-, S-[2,4,6-tris(1-methylethyl)phenyl] ester, (2R,3S)- [ACD/Index Name]
S-(2,4,6-Triisopropylphenyl) (2R,3S)-3-hydroxy-2,4,4-trimethylpentanethioate [ACD/IUPAC Name]
S-(2,4,6-Triisopropylphenyl)-(2R,3S)-3-hydroxy-2,4,4-trimethylpentanthioat [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 442.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 221.4±28.7 °C
Index of Refraction: 1.520
Molar Refractivity: 115.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.54
ACD/LogD (pH 5.5): 6.79
ACD/BCF (pH 5.5): 85131.16
ACD/KOC (pH 5.5): 117635.14
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85131.16
ACD/KOC (pH 7.4): 117635.14
Polar Surface Area: 63 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 378.3±5.0 cm3

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