Molecule

ID:81033

General Information

Structure

Molecular Formula

C₄H₄N₂S

Molecular Mass

112.15296

Exact Mass

112.00951914

Charge

0

InChI

InChI=1S/C4H4N2S/c5-1-3-7-4-2-6/h3-4H2

InChIKey

YFUCPLPDBPZLGK-UHFFFAOYSA-N

Canonic Smiles

N#CCSCC#N

Isomeric Smiles

N#CCSCC#N

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

-0.32722393

LogD (pH = 7.4)

-0.32722393

Log P

-0.32722393

Molar Refractivity

29.3147

Polarizability

10.878621

Polar Surface Area

47.58

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity