ChemSpider 2D Image | 4-{[(OXOLAN-2-YL)METHOXY]METHYL}BENZENE-1-THIOL | C12H16O2S

4-{[(OXOLAN-2-YL)METHOXY]METHYL}BENZENE-1-THIOL

  • Molecular FormulaC12H16O2S
  • Average mass224.319 Da
  • Monoisotopic mass224.087097 Da
  • ChemSpider ID35326218

More details:

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

1443355-26-7 [RN]
4-[(Tetrahydro-2-furanylmethoxy)methyl]benzenethiol [ACD/IUPAC Name]
4-[(Tétrahydro-2-furanylméthoxy)méthyl]benzènethiol [French] [ACD/IUPAC Name]
4-[(Tetrahydro-2-furanylmethoxy)methyl]benzolthiol [German] [ACD/IUPAC Name]
4-{[(OXOLAN-2-YL)METHOXY]METHYL}BENZENE-1-THIOL
Benzenethiol, 4-[[(tetrahydro-2-furanyl)methoxy]methyl]- [ACD/Index Name]
4-(((Tetrahydrofuran-2-yl)methoxy)methyl)benzenethiol
4-[(OXOLAN-2-YLMETHOXY)METHYL]BENZENETHIOL
4-[(Tetrahydrofurfuryloxy)methyl]thiophenol
atoms 15 bonds 16
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 353.5±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 167.6±22.3 °C
Index of Refraction: 1.561
Molar Refractivity: 63.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 40.38
ACD/KOC (pH 5.5): 475.80
ACD/LogD (pH 7.4): 1.46
ACD/BCF (pH 7.4): 4.36
ACD/KOC (pH 7.4): 51.34
Polar Surface Area: 57 Å2
Polarizability: 25.3±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 197.0±3.0 cm3

Click to predict properties on the Chemicalize site


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