Molecule

ID:64845

General Information

Structure

MolImage

Molecular Formula

C₂H₄N₄O₂S

Molecular Mass

148.14376

Exact Mass

148.00549639

Charge

0

InChI

InChI=1S/C2H4N4O2S/c1-9(7,8)2-3-5-6-4-2/h1H3,(H,3,4,5,6)

InChIKey

IURGLLWWASFDGT-UHFFFAOYSA-N

Canonic Smiles

CS(=O)(=O)c1nnn[nH]1

Isomeric Smiles

[nH]1nnnc1S(=O)(=O)C

Calculated Properties

JChem

Acid pKa

0.3852302

H Acceptors

5

H Donor

1

LogD (pH = 5.5)

-2.8580165

LogD (pH = 7.4)

-2.8581479

Log P

-1.2464058

Molar Refractivity

31.7955

Polarizability

11.689992

Polar Surface Area

88.6

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