ChemSpider 2D Image | 2-(Isopropylsulfanyl)propanoic acid | C6H12O2S

2-(Isopropylsulfanyl)propanoic acid

  • Molecular FormulaC6H12O2S
  • Average mass148.223 Da
  • Monoisotopic mass148.055801 Da
  • ChemSpider ID22107516

More details:

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

2-(Isopropylsulfanyl)propanoic acid [ACD/IUPAC Name]
2-(Isopropylsulfanyl)propansäure [German] [ACD/IUPAC Name]
2-(propan-2-ylsulfanyl)propanoic acid
2-[(1-Methylethyl)thio]propanoic acid
26822-41-3 [RN]
Acide 2-(isopropylsulfanyl)propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[(1-methylethyl)thio]- [ACD/Index Name]
2-(isopropylthio)propanoic acid
MFCD09934590 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 231.8±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 51.6±6.0 kJ/mol
Flash Point: 94.0±22.6 °C
Index of Refraction: 1.486
Molar Refractivity: 39.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.01
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 136.9±3.0 cm3

Click to predict properties on the Chemicalize site


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