Molecule

ID:69145

General Information

Structure

MolImage

Molecular Formula

C₅H₅NOS

Molecular Mass

127.1643

Exact Mass

127.00918479

Charge

0

InChI

InChI=1S/C5H5NOS/c1-4(7)5-2-8-3-6-5/h2-3H,1H3

InChIKey

SUCLFBXGJZQZEH-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1cscn1

Isomeric Smiles

C(=O)(C)c1ncsc1

Calculated Properties

JChem

Acid pKa

14.483171

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

0.57552963

LogD (pH = 7.4)

0.5755363

Log P

0.57553643

Molar Refractivity

31.2972

Polarizability

11.907368

Polar Surface Area

29.96

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