Molecule

ID:76165

General Information
Structure
MolImage
Molecular Formula
C₆H₆OS₂
Molecular Mass
158.24124
Exact Mass
157.98600681
Charge
0
InChI
InChI=1S/C6H6OS2/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
InChIKey
RKXYTFTZODXDEF-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(s1)C=O
Isomeric Smiles
s1c(ccc1SC)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3928425
LogD (pH = 7.4)
2.3928425
Log P
2.3928425
Molar Refractivity
41.4507
Polarizability
15.807632
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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