Molecule

ID:34112

General Information

Structure

MolImage

Molecular Formula

C₅H₁₀O₂S

Molecular Mass

134.1967

Exact Mass

134.04015056

Charge

0

InChI

InChI=1S/C5H10O2S/c1-4(2)8-3-5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChIKey

FTHCMTYOZSIHJL-UHFFFAOYSA-N

Canonic Smiles

CC(SCC(=O)O)C

Isomeric Smiles

CC(SCC(=O)O)C

Calculated Properties

JChem

Acid pKa

4.613279

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

0.017320171

LogD (pH = 7.4)

-1.7591896

Log P

0.95605594

Molar Refractivity

34.3897

Polarizability

13.545053

Polar Surface Area

37.3

Rotatable Bonds

3

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