Molecule

ID:111205

General Information

Structure

MolImage

Molecular Formula

C₂H₃KO₂S

Molecular Mass

130.20732

Exact Mass

129.94908202

Charge

0

InChI

InChI=1S/C2H4O2S.K/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+1/p-1

InChIKey

HYTYHTSMCRDHIM-UHFFFAOYSA-M

Canonic Smiles

[O-]C(=O)CS.[K+]

Isomeric Smiles

[K+].[O-]C(=O)CS

Calculated Properties

JChem

Acid pKa

4.2001157

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-1.3153695

LogD (pH = 7.4)

-3.0313642

Log P

0.003219707

Molar Refractivity

31.31

Polarizability

7.956367

Polar Surface Area

40.13

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity