Molecule

ID:57928

General Information

Structure

MolImage

Molecular Formula

C₅H₁₀N₂S

Molecular Mass

130.2113

Exact Mass

130.05646933

Charge

0

InChI

InChI=1S/C5H10N2S/c6-5(8)7-3-1-2-4-7/h1-4H2,(H2,6,8)

InChIKey

DJQOGYTZMZEXJN-UHFFFAOYSA-N

Canonic Smiles

NC(=S)N1CCCC1

Isomeric Smiles

C(=S)(N1CCCC1)N

Calculated Properties

JChem

Acid pKa

14.782188

H Acceptors

0

H Donor

1

LogD (pH = 5.5)

0.37918526

LogD (pH = 7.4)

0.37918526

Log P

0.37918532

Molar Refractivity

38.4679

Polarizability

14.92114

Polar Surface Area

29.26

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

No Data Available

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Molecule Details

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References

Bioactivity