ChemSpider 2D Image | 4-Methoxy-3-(pentyloxy)benzenethiol | C12H18O2S

4-Methoxy-3-(pentyloxy)benzenethiol

  • Molecular FormulaC12H18O2S
  • Average mass226.335 Da
  • Monoisotopic mass226.102753 Da
  • ChemSpider ID35326669

More details:

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

4-Methoxy-3-(pentyloxy)benzenethiol [ACD/IUPAC Name]
4-Méthoxy-3-(pentyloxy)benzènethiol [French] [ACD/IUPAC Name]
4-Methoxy-3-(pentyloxy)benzolthiol [German] [ACD/IUPAC Name]
Benzenethiol, 4-methoxy-3-(pentyloxy)- [ACD/Index Name]
1443346-96-0 [RN]
4-METHOXY-3-(PENTYLOXY)BENZENE-1-THIOL
4-Methoxy-3-n-pentoxythiophenol
atoms 15 bonds 15
MFCD18426910

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

Density: 1.0±0.1 g/cm3
Boiling Point: 326.4±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.6±3.0 kJ/mol
Flash Point: 151.2±22.3 °C
Index of Refraction: 1.526
Molar Refractivity: 66.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1236.16
ACD/KOC (pH 5.5): 5550.55
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 166.94
ACD/KOC (pH 7.4): 749.57
Polar Surface Area: 57 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 216.1±3.0 cm3

Click to predict properties on the Chemicalize site


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