Molecule

ID:65214

General Information

Structure

MolImage

Molecular Formula

C₃H₄O₂S

Molecular Mass

104.12766

Exact Mass

103.99320037

Charge

0

InChI

InChI=1S/C3H4O2S/c4-6(5)2-1-3-6/h1-2H,3H2

InChIKey

SYHFISYHXDUGDV-UHFFFAOYSA-N

Canonic Smiles

O=S1(=O)CC=C1

Isomeric Smiles

C1C=CS1(=O)=O

Calculated Properties

JChem

Acid pKa

14.466916

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.79199374

LogD (pH = 7.4)

-0.7919938

Log P

-0.79199374

Molar Refractivity

23.1735

Polarizability

9.522241

Polar Surface Area

34.14

Rotatable Bonds

0

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