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Search term: GDDMGWCYODCSIR (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-[(2-Methyl-2-propanyl)sulfanyl]-1-propanol | C7H16OS

3-[(2-Methyl-2-propanyl)sulfanyl]-1-propanol

  • Molecular FormulaC7H16OS
  • Average mass148.266 Da
  • Monoisotopic mass148.092178 Da
  • ChemSpider ID31022452

More details:






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

1-Propanol, 3-[(1,1-dimethylethyl)thio]- [ACD/Index Name]
3-[(2-Methyl-2-propanyl)sulfanyl]-1-propanol [German] [ACD/IUPAC Name]
3-[(2-Methyl-2-propanyl)sulfanyl]-1-propanol [ACD/IUPAC Name]
3-[(2-Méthyl-2-propanyl)sulfanyl]-1-propanol [French] [ACD/IUPAC Name]
3-(tert-butylsulfanyl)propan-1-ol
5755-56-6 [RN]
MFCD12178179

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 202.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.0±6.0 kJ/mol
Flash Point: 99.1±18.5 °C
Index of Refraction: 1.477
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.85
ACD/KOC (pH 5.5): 216.51
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.85
ACD/KOC (pH 7.4): 216.51
Polar Surface Area: 46 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 155.6±3.0 cm3

Click to predict properties on the Chemicalize site






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