Molecule

ID:106938

General Information

Structure

Molecular Formula

C₈H₁₈S

Molecular Mass

146.29352

Exact Mass

146.11292158

Charge

0

InChI

InChI=1S/C8H18S/c1-7(2,3)6-8(4,5)9/h9H,6H2,1-5H3

InChIKey

QZLAEIZEPJAELS-UHFFFAOYSA-N

Canonic Smiles

CC(CC(S)(C)C)(C)C

Isomeric Smiles

CC(C)(C)CC(C)(C)S

Calculated Properties

JChem

Acid pKa

9.9854765

H Acceptors

0

H Donor

1

LogD (pH = 5.5)

3.1333401

LogD (pH = 7.4)

3.132308

Log P

3.1333532

Molar Refractivity

46.3426

Polarizability

18.556715

Polar Surface Area

0.0

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity