Molecule

ID:2584

General Information

Structure

MolImage

Molecular Formula

C₈H₁₆OS

Molecular Mass

160.27704

Exact Mass

160.09218613

Charge

0

InChI

InChI=1S/C8H16OS/c1-2-3-4-8-5-6-10(9)7-8/h8H,2-7H2,1H3/t8-,10+/m0/s1

InChIKey

QVVQIIIFHZDBDL-WCBMZHEXSA-N

Canonic Smiles

CCCC[C@H]1CC[S@@](=O)C1

Isomeric Smiles

[S@]1(=O)C[C@H](CC1)CCCC

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.0009891

LogD (pH = 7.4)

1.0009891

Log P

1.0009891

Molar Refractivity

46.4854

Polarizability

18.349476

Polar Surface Area

17.07

Rotatable Bonds

3

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

2.04

LOG S

-1.6

Solubility (Water)

4.03e+00 g/l

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