Molecule

ID:65382

General Information

Structure

MolImage

Molecular Formula

C₅H₉NOS

Molecular Mass

131.19606

Exact Mass

131.04048491

Charge

0

InChI

InChI=1S/C5H9NOS/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7)

InChIKey

YBUWZZKYXPWDGO-UHFFFAOYSA-N

Canonic Smiles

O=C1NCCSCC1

Isomeric Smiles

C1C(=O)NCCSC1

Calculated Properties

JChem

Acid pKa

14.652065

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-0.17967935

LogD (pH = 7.4)

-0.17967935

Log P

-0.17967933

Molar Refractivity

34.678

Polarizability

13.49649

Polar Surface Area

29.1

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