ChemSpider 2D Image | 5-[(Octylsulfanyl)methyl]-1,2-oxazol-3(2H)-one | C12H21NO2S

5-[(Octylsulfanyl)methyl]-1,2-oxazol-3(2H)-one

  • Molecular FormulaC12H21NO2S
  • Average mass243.366 Da
  • Monoisotopic mass243.129303 Da
  • ChemSpider ID28703556

More details:

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

3(2H)-Isoxazolone, 5-[(octylthio)methyl]- [ACD/Index Name]
5-[(Octylsulfanyl)methyl]-1,2-oxazol-3(2H)-on [German] [ACD/IUPAC Name]
5-[(Octylsulfanyl)methyl]-1,2-oxazol-3(2H)-one [ACD/IUPAC Name]
5-[(Octylsulfanyl)méthyl]-1,2-oxazol-3(2H)-one [French] [ACD/IUPAC Name]
5-((Octylthio)methyl)isoxazol-3(2H)-one
5-[(OCTYLSULFANYL)METHYL]-2H-1,2-OXAZOL-3-ONE
89660-69-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.504
Molar Refractivity: 68.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 410.55
ACD/KOC (pH 5.5): 2583.74
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 410.54
ACD/KOC (pH 7.4): 2583.69
Polar Surface Area: 64 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 230.7±3.0 cm3

Click to predict properties on the Chemicalize site


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