Molecule

ID:87232

General Information
Structure
Molecular Formula
C₆H₁₂OS
Molecular Mass
132.22388
Exact Mass
132.060886
Charge
0
InChI
InChI=1S/C6H12OS/c7-5-6-1-3-8-4-2-6/h6-7H,1-5H2
InChIKey
LMVCLDAMMNHILO-UHFFFAOYSA-N
Canonic Smiles
OCC1CCSCC1
Isomeric Smiles
S1CCC(CC1)CO
Calculated Properties
JChem
Acid pKa
15.468842
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.79468393
LogD (pH = 7.4)
0.79468393
Log P
0.79468393
Molar Refractivity
37.5324
Polarizability
14.7317915
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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