Found 49 results

Search term: MF = 'C_{6}H_{14}OS_{2}'
ChemSpider 2D Image | 2-(Isopropylsulfanyl)-3-sulfanyl-1-propanol | C6H14OS2

2-(Isopropylsulfanyl)-3-sulfanyl-1-propanol

  • Molecular FormulaC6H14OS2
  • Average mass166.305 Da
  • Monoisotopic mass166.048599 Da
  • ChemSpider ID61034438

More details:

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

1-Propanol, 3-mercapto-2-[(1-methylethyl)thio]- [ACD/Index Name]
2-(Isopropylsulfanyl)-3-sulfanyl-1-propanol [German] [ACD/IUPAC Name]
2-(Isopropylsulfanyl)-3-sulfanyl-1-propanol [ACD/IUPAC Name]
2-(Isopropylsulfanyl)-3-sulfanyl-1-propanol [French] [ACD/IUPAC Name]
4894-05-7 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 273.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 59.4±6.0 kJ/mol
Flash Point: 119.3±24.6 °C
Index of Refraction: 1.526
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.24
ACD/KOC (pH 5.5): 244.59
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.15
ACD/KOC (pH 7.4): 243.11
Polar Surface Area: 84 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 153.9±3.0 cm3

Click to predict properties on the Chemicalize site


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