Found 225 results

Search term: MF = 'C_{9}H_{12}O_{2}S_{2}'
ChemSpider 2D Image | 3-Methyl-3-(2-thienylsulfanyl)butanoic acid | C9H12O2S2

3-Methyl-3-(2-thienylsulfanyl)butanoic acid

  • Molecular FormulaC9H12O2S2
  • Average mass216.320 Da
  • Monoisotopic mass216.027863 Da
  • ChemSpider ID21411224

More details:

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

3-Methyl-3-(2-thienylsulfanyl)butanoic acid [ACD/IUPAC Name]
3-Methyl-3-(2-thienylsulfanyl)butansäure [German] [ACD/IUPAC Name]
Acide 3-méthyl-3-(2-thiénylsulfanyl)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-3-(2-thienylthio)- [ACD/Index Name]
111190-17-1 [RN]
3-Methyl-3-(thiophen-2-ylthio)butanoic acid
3-Methyl-3-[(thiophen-2-yl)sulfanyl]butanoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 357.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 170.1±22.3 °C
Index of Refraction: 1.588
Molar Refractivity: 57.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 1.59
ACD/BCF (pH 5.5): 4.74
ACD/KOC (pH 5.5): 46.72
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 171.5±5.0 cm3

Click to predict properties on the Chemicalize site


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