ChemSpider 2D Image | 3-Mercapto-3-methylbutyl isovalerate | C10H20O2S

3-Mercapto-3-methylbutyl isovalerate

  • Molecular FormulaC10H20O2S
  • Average mass204.330 Da
  • Monoisotopic mass204.118393 Da
  • ChemSpider ID26556265

More details:

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

37847703 [Beilstein]
3-Mercapto-3-methylbutyl 3-methylbutanoate
3-Mercapto-3-methylbutyl 3-methylbutyrate [ACD/IUPAC Name]
3-Mercapto-3-methylbutyl isovalerate [ACD/IUPAC Name]
612071-27-9 [RN]
Butanoic acid, 3-methyl-, 3-mercapto-3-methylbutyl ester [ACD/Index Name]
SHX1&1&2OV1Y1&1 [WLN]
3-Methyl-3-sulfanylbutyl 3-methylbutanoate [ACD/IUPAC Name]
3-Methyl-3-sulfanylbutyl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de 3-méthyl-3-sulfanylbutyle [French] [ACD/IUPAC Name]
More...

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

HJX835LB3C [DBID]
UNII:HJX835LB3C [DBID]
UNII-HJX835LB3C [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 261.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 125.5±10.5 °C
Index of Refraction: 1.460
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.24
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 139.71
ACD/KOC (pH 5.5): 1194.44
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 139.66
ACD/KOC (pH 7.4): 1194.04
Polar Surface Area: 65 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 31.0±3.0 dyne/cm
Molar Volume: 211.6±3.0 cm3

Click to predict properties on the Chemicalize site


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