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Search term: BCYQZLULZVJEII (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 4-Mercapto-3-methylbutan-2-ol | C5H12OS

4-Mercapto-3-methylbutan-2-ol

  • Molecular FormulaC5H12OS
  • Average mass120.213 Da
  • Monoisotopic mass120.060883 Da
  • ChemSpider ID26233609

More details:

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

1846817 [Beilstein]
2-Butanol, 4-mercapto-3-methyl- [ACD/Index Name]
33959-27-2 [RN]
3-Methyl-4-sulfanyl-2-butanol
3-Methyl-4-sulfanyl-2-butanol [German] [ACD/IUPAC Name]
3-Méthyl-4-sulfanyl-2-butanol [French] [ACD/IUPAC Name]
4-Mercapto-3-methyl-2-butanol
4-Mercapto-3-methylbutan-2-ol [ACD/IUPAC Name]
SH1Y1&YQ1 [WLN]
FEMA 4698
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 190.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 49.6±6.0 kJ/mol
Flash Point: 68.8±22.6 °C
Index of Refraction: 1.472
Molar Refractivity: 34.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 4.74
ACD/KOC (pH 5.5): 106.04
ACD/LogD (pH 7.4): 1.19
ACD/BCF (pH 7.4): 4.74
ACD/KOC (pH 7.4): 105.89
Polar Surface Area: 59 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 32.4±3.0 dyne/cm
Molar Volume: 123.4±3.0 cm3

Click to predict properties on the Chemicalize site


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