Molecular Structure of 3-Mercapto-2-methylpenta-1-ol (CAS NO.227456-27-1):
Systematic Name: 2-Methyl-3-sulfanylpentan-1-ol
SMILES: OCC(C)C(S)CC
InChI: InChI=1/C6H14OS/c1-3-6(8)5(2)4-7/h5-8H,3-4H2,1-2H3
InChIKey: HABNNYNSJFKZFE-UHFFFAOYAQ
Empirical Formula: C6H14OS
Molecular Weight: 134.2398
Nominal Mass: 134 Da
Average Mass: 134.2398 Da
Monoisotopic Mass: 134.076535 Da
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 5
Index of Refraction: 1.472
Molar Refractivity: 39.19 cm3
Molar Volume: 139.8 cm3
Surface Tension: 32.5 dyne/cm
Density: 0.959 g/cm3
Flash Point: 77.8 °C
Enthalpy of Vaporization: 51.33 kJ/mol
Boiling Point: 205 °C at 760 mmHg
Vapour Pressure: 0.0612 mmHg at 25 °C
FEMA: 3996
Product Categories: thiol Flavor
Mol File: 227456-27-1.mol
3-Mercapto-2-methylpenta-1-ol (CAS NO.227456-27-1), its Synonyms are 1-Pentanol,3-mercapto-2-methyl- ; 3-Mercapto-2-methylpentanol .
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