ChemSpider 2D Image | 3-(Methylthio)-2-[(methylthio)methyl]propanoic acid | C6H12O2S2

3-(Methylthio)-2-[(methylthio)methyl]propanoic acid

  • Molecular FormulaC6H12O2S2
  • Average mass180.288 Da
  • Monoisotopic mass180.027863 Da
  • ChemSpider ID26265070

More details:






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

3-(Methylsulfanyl)-2-[(methylsulfanyl)methyl]propanoic acid [ACD/IUPAC Name]
3-(Methylsulfanyl)-2-[(methylsulfanyl)methyl]propansäure [German] [ACD/IUPAC Name]
3-(Methylthio)-2-[(methylthio)methyl]propanoic acid
62574-24-7 [RN]
Acide 3-(méthylsulfanyl)-2-[(méthylsulfanyl)méthyl]propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-(methylthio)-2-[(methylthio)methyl]- [ACD/Index Name]
MFCD06208793

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

Density: 1.2±0.1 g/cm3
Boiling Point: 321.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.0±6.0 kJ/mol
Flash Point: 148.5±26.5 °C
Index of Refraction: 1.542
Molar Refractivity: 47.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 0.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.97
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 88 Å2
Polarizability: 18.8±0.5 10-24cm3
Surface Tension: 45.7±3.0 dyne/cm
Molar Volume: 150.5±3.0 cm3

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