Molecule

ID:65384

General Information

Structure

MolImage

Molecular Formula

C₅H₉NO₃S

Molecular Mass

163.19486

Exact Mass

163.03031415

Charge

0

InChI

InChI=1S/C5H9NO3S/c7-5-1-3-10(8,9)4-2-6-5/h1-4H2,(H,6,7)

InChIKey

DNTJBUYSZPXQAJ-UHFFFAOYSA-N

Canonic Smiles

O=C1NCCS(=O)(=O)CC1

Isomeric Smiles

C1C(=O)NCCS(=O)(=O)C1

Calculated Properties

JChem

Acid pKa

13.585455

H Acceptors

3

H Donor

1

LogD (pH = 5.5)

-2.0363889

LogD (pH = 7.4)

-2.036389

Log P

-2.0363886

Molar Refractivity

35.4873

Polarizability

14.733433

Polar Surface Area

63.24

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