Molecule

ID:71206

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀O₂S
Molecular Mass
146.2074
Exact Mass
146.04015056
Charge
0
InChI
InChI=1S/C6H10O2S/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H,7,8)
InChIKey
SCKSQOIXSGPVJS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCSCC1
Isomeric Smiles
S1CCC(CC1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.5584116
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.10162657
LogD (pH = 7.4)
-1.6720296
Log P
1.0891342
Molar Refractivity
37.372
Polarizability
14.657268
Polar Surface Area
37.3
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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