Molecule

ID:61803

General Information

Structure

MolImage

Molecular Formula

C₂H₅NaO₂S

Molecular Mass

116.11467

Exact Mass

115.99079468

Charge

0

InChI

InChI=1S/C2H6O2S.Na/c1-2-5(3)4;/h2H2,1H3,(H,3,4);/q;+1/p-1

InChIKey

UWIVVFQECQYHOB-UHFFFAOYSA-M

Canonic Smiles

[O-]S(=O)CC.[Na+]

Isomeric Smiles

CCS(=O)[O-].[Na+]

Calculated Properties

JChem

Acid pKa

-0.16253483

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-2.5225277

LogD (pH = 7.4)

-2.522698

Log P

-0.2589

Molar Refractivity

19.2529

Polarizability

8.433216

Polar Surface Area

40.13

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