ChemSpider 2D Image | Bis(3-methylbutyl) (2R)-2-sulfanylsuccinate | C14H26O4S

Bis(3-methylbutyl) (2R)-2-sulfanylsuccinate

  • Molecular FormulaC14H26O4S
  • Average mass290.419 Da
  • Monoisotopic mass290.155182 Da
  • ChemSpider ID34993559

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Sulfanylsuccinate de bis(3-méthylbutyle) [French] [ACD/IUPAC Name]
Bis(3-methylbutyl) (2R)-2-sulfanylsuccinate [ACD/IUPAC Name]
Bis(3-methylbutyl)-(2R)-2-sulfanylsuccinat [German] [ACD/IUPAC Name]
Butanedioic acid, 2-mercapto-, bis(3-methylbutyl) ester, (2R)- [ACD/Index Name]
268-416-7 [EINECS]
68084-03-7 [RN]
DIISOPENTYL THIOMALATE
UNII-R38N4Y43EC

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

Density: 1.0±0.1 g/cm3
Boiling Point: 368.7±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.5±3.0 kJ/mol
Flash Point: 228.6±11.6 °C
Index of Refraction: 1.467
Molar Refractivity: 78.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 612.49
ACD/KOC (pH 5.5): 3431.47
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 357.64
ACD/KOC (pH 7.4): 2003.71
Polar Surface Area: 91 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 281.8±3.0 cm3

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