ChemSpider 2D Image | S-(METHYLTHIOMETHYL) 2-METHYLPROPANETHIOATE | C6H12OS2

S-(METHYLTHIOMETHYL) 2-METHYLPROPANETHIOATE

  • Molecular FormulaC6H12OS2
  • Average mass164.289 Da
  • Monoisotopic mass164.032959 Da
  • ChemSpider ID34992540

More details:

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

2-Méthylpropanethioate de S-[(méthylsulfanyl)méthyle] [French] [ACD/IUPAC Name]
77974-85-7 [RN]
Propanethioic acid, 2-methyl-, S-[(methylthio)methyl] ester [ACD/Index Name]
S-(METHYLTHIOMETHYL) 2-METHYLPROPANETHIOATE
S-[(Methylsulfanyl)methyl] 2-methylpropanethioate [ACD/IUPAC Name]
S-[(Methylsulfanyl)methyl]-2-methylpropanthioat [German] [ACD/IUPAC Name]

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

NC83XA7LMV [DBID]
UNII:NC83XA7LMV [DBID]
UNII-NC83XA7LMV [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 198.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.5±3.0 kJ/mol
Flash Point: 67.2±12.7 °C
Index of Refraction: 1.511
Molar Refractivity: 45.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.58
ACD/KOC (pH 5.5): 569.04
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.58
ACD/KOC (pH 7.4): 569.04
Polar Surface Area: 68 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 153.0±3.0 cm3

Click to predict properties on the Chemicalize site


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