ChemSpider 2D Image | S-Methyl 4-methylpentanethioate | C7H14OS

S-Methyl 4-methylpentanethioate

  • Molecular FormulaC7H14OS
  • Average mass146.251 Da
  • Monoisotopic mass146.076538 Da
  • ChemSpider ID21105942

More details:






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

1Y1&2VS1 [WLN]
4-Méthylpentanethioate de S-méthyle [French] [ACD/IUPAC Name]
61122-71-2 [RN]
Pentanethioic acid, 4-methyl-, S-methyl ester [ACD/Index Name]
S-Methyl 4-methylpentanethioate [ACD/IUPAC Name]
S-Methyl-4-methylpentanthioat [German] [ACD/IUPAC Name]
4-Methyl-1-(methylsulfanyl)pentan-1-one
FEMA 3867

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

011EVD3QYF [DBID]
UNII:011EVD3QYF [DBID]
UNII-011EVD3QYF [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 180.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.7±3.0 kJ/mol
Flash Point: 56.1±12.3 °C
Index of Refraction: 1.458
Molar Refractivity: 42.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 68.07
ACD/KOC (pH 5.5): 713.93
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 68.07
ACD/KOC (pH 7.4): 713.93
Polar Surface Area: 42 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 29.9±3.0 dyne/cm
Molar Volume: 155.5±3.0 cm3

Click to predict properties on the Chemicalize site






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