Molecule

ID:68641

General Information

Structure

MolImage

Molecular Formula

C₅H₁₁NS

Molecular Mass

117.21254

Exact Mass

117.06122036

Charge

0

InChI

InChI=1S/C5H11NS/c1-5(2)6-3-4-7-5/h6H,3-4H2,1-2H3

InChIKey

SNPQRYOQWLOTFA-UHFFFAOYSA-N

Canonic Smiles

CC1(C)NCCS1

Isomeric Smiles

S1C(NCC1)(C)C

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-2.2600808

LogD (pH = 7.4)

-0.6966846

Log P

0.70432836

Molar Refractivity

34.6715

Polarizability

13.8107395

Polar Surface Area

12.03

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