Molecule

ID:68271

General Information

Structure

Molecular Formula

C₆H₄N₂S

Molecular Mass

136.17436

Exact Mass

136.00951914

Charge

0

InChI

InChI=1S/C6H4N2S/c1-4-9-6-5(1)7-2-3-8-6/h1-4H

InChIKey

YJSKZIATOGOJEB-UHFFFAOYSA-N

Canonic Smiles

c1cnc2c(n1)scc2

Isomeric Smiles

c12c(nccn1)ccs2

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.1672341

LogD (pH = 7.4)

1.1672381

Log P

1.1672381

Molar Refractivity

34.6649

Polarizability

14.051073

Polar Surface Area

25.78

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