Molecule

ID:135504

General Information

Structure

MolImage

Molecular Formula

C₄H₈N₂S

Molecular Mass

116.18472

Exact Mass

116.04081927

Charge

0

InChI

InChI=1S/C4H8N2S/c1-3(5)2-4(6)7/h2H,5H2,1H3,(H2,6,7)

InChIKey

IJUDUPSHUGIGMT-UHFFFAOYSA-N

Canonic Smiles

C/C(=C/C(=S)N)/N

Isomeric Smiles

C/C(=C/C(=S)N)/N

Calculated Properties

JChem

Acid pKa

12.96178

H Acceptors

1

H Donor

2

LogD (pH = 5.5)

-0.723056

LogD (pH = 7.4)

-0.5422487

Log P

-0.5393797

Molar Refractivity

36.5588

Polarizability

13.571998

Polar Surface Area

52.04

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