Molecule

ID:108814

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅NS₃

Molecular Mass

209.3957

Exact Mass

209.03666249

Charge

0

InChI

InChI=1S/C7H15NS3/c1-7(2,3)11-10-6(9)8(4)5/h1-5H3

InChIKey

RZRJACCZWZTYJY-UHFFFAOYSA-N

Canonic Smiles

S=C(N(C)C)SSC(C)(C)C

Isomeric Smiles

CN(C)C(=S)SSC(C)(C)C

Calculated Properties

JChem

H Acceptors

0

H Donor

0

LogD (pH = 5.5)

3.0178783

LogD (pH = 7.4)

3.0178783

Log P

3.0178783

Molar Refractivity

61.9162

Polarizability

24.407694

Polar Surface Area

3.24

Rotatable Bonds

3

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