ChemSpider 2D Image | 2-[(oxan-2-ylmethyl)sulfanyl]acetic acid | C8H14O3S

2-[(oxan-2-ylmethyl)sulfanyl]acetic acid

  • Molecular FormulaC8H14O3S
  • Average mass190.260 Da
  • Monoisotopic mass190.066360 Da
  • ChemSpider ID26053474

More details:

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

[(Tetrahydro-2H-pyran-2-ylmethyl)sulfanyl]acetic acid [ACD/IUPAC Name]
[(Tetrahydro-2H-pyran-2-ylmethyl)sulfanyl]essigsäure [German] [ACD/IUPAC Name]
2-[(oxan-2-ylmethyl)sulfanyl]acetic acid
933699-73-1 [RN]
Acetic acid, 2-[[(tetrahydro-2H-pyran-2-yl)methyl]thio]- [ACD/Index Name]
Acide [(tétrahydro-2H-pyran-2-ylméthyl)sulfanyl]acétique [French] [ACD/IUPAC Name]
[(OXAN-2-YLMETHYL)SULFANYL]ACETIC ACID
2-(((Tetrahydro-2H-pyran-2-yl)methyl)thio)acetic acid
2-{[(oxan-2-yl)methyl]sulfanyl}acetic acid
MFCD11647279 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 339.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 64.0±6.0 kJ/mol
Flash Point: 158.8±20.9 °C
Index of Refraction: 1.514
Molar Refractivity: 48.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.87
ACD/LogD (pH 7.4): -2.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 72 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 160.2±3.0 cm3

Click to predict properties on the Chemicalize site


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