Molecule

ID:128070

General Information

Structure

MolImage

Molecular Formula

C₈H₁₅NOS₂

Molecular Mass

205.3408

Exact Mass

205.05950611

Charge

0

InChI

InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)/t7-/m1/s1

InChIKey

FCCDDURTIIUXBY-SSDOTTSWSA-N

Canonic Smiles

NC(=O)CCCC[C@H]1SSCC1

Isomeric Smiles

O=C(N)CCCC[C@H]1SSCC1

Calculated Properties

JChem

Acid pKa

16.449049

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.3068365

LogD (pH = 7.4)

1.3068368

Log P

1.3068368

Molar Refractivity

56.1936

Polarizability

22.114344

Polar Surface Area

43.09

Rotatable Bonds

5

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

References

Bioactivity