Molecule

ID:51992

General Information

Structure

MolImage

Molecular Formula

C₆H₁₁NS

Molecular Mass

129.22324

Exact Mass

129.06122036

Charge

0

InChI

InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3

InChIKey

JATNWMBUDXLMEO-UHFFFAOYSA-N

Canonic Smiles

CC(CCN=C=S)C

Isomeric Smiles

C(CC(C)C)N=C=S

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.6805682

LogD (pH = 7.4)

2.6805682

Log P

2.6805682

Molar Refractivity

39.7513

Polarizability

15.680772

Polar Surface Area

12.36

Rotatable Bonds

3

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