ChemSpider 2D Image | S-Methyl (2R)-2-methylbutanethioate | C6H12OS

S-Methyl (2R)-2-methylbutanethioate

  • Molecular FormulaC6H12OS
  • Average mass132.224 Da
  • Monoisotopic mass132.060883 Da
  • ChemSpider ID34995587

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Méthylbutanethioate de S-méthyle [French] [ACD/IUPAC Name]
Butanethioic acid, 2-methyl-, S-methyl ester, (2R)- [ACD/Index Name]
S-Methyl (2R)-2-methylbutanethioate [ACD/IUPAC Name]
S-Methyl-(2R)-2-methylbutanthioat [German] [ACD/IUPAC Name]
255-648-9 [EINECS]
42075-45-6 [RN]
S-Methyl 2-methylbutanethioate [ACD/IUPAC Name]
UNII-251520LC0C

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

Density: 1.0±0.1 g/cm3
Boiling Point: 158.1±9.0 °C at 760 mmHg
Vapour Pressure: 2.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.5±3.0 kJ/mol
Flash Point: 44.0±12.3 °C
Index of Refraction: 1.456
Molar Refractivity: 37.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 33.58
ACD/KOC (pH 5.5): 430.47
ACD/LogD (pH 7.4): 2.31
ACD/BCF (pH 7.4): 33.58
ACD/KOC (pH 7.4): 430.47
Polar Surface Area: 42 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 29.5±3.0 dyne/cm
Molar Volume: 139.0±3.0 cm3

Click to predict properties on the Chemicalize site


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