ChemSpider 2D Image | 2-Butoxy-1-methoxy-4-(methylsulfanyl)benzene | C12H18O2S

2-Butoxy-1-methoxy-4-(methylsulfanyl)benzene

  • Molecular FormulaC12H18O2S
  • Average mass226.335 Da
  • Monoisotopic mass226.102753 Da
  • ChemSpider ID35330039

More details:

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

2-Butoxy-1-methoxy-4-(methylsulfanyl)benzene [ACD/IUPAC Name]
2-Butoxy-1-méthoxy-4-(méthylsulfanyl)benzène [French] [ACD/IUPAC Name]
2-Butoxy-1-methoxy-4-(methylsulfanyl)benzol [German] [ACD/IUPAC Name]
Benzene, 2-butoxy-1-methoxy-4-(methylthio)- [ACD/Index Name]
(3-Butoxy-4-methoxyphenyl)(methyl)sulfane
1443347-09-8 [RN]
3-n-Butoxy-4-methoxyphenyl methyl sulfide
atoms 15 bonds 15
MFCD18427033

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

Density: 1.1±0.1 g/cm3
Boiling Point: 314.3±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.3±3.0 kJ/mol
Flash Point: 143.9±25.1 °C
Index of Refraction: 1.528
Molar Refractivity: 66.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 422.51
ACD/KOC (pH 5.5): 2637.42
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 422.51
ACD/KOC (pH 7.4): 2637.42
Polar Surface Area: 44 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 214.4±5.0 cm3

Click to predict properties on the Chemicalize site


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