Molecule

ID:34707

General Information
Structure
MolImage
Molecular Formula
C₆H₆OS
Molecular Mass
126.17624
Exact Mass
126.01393581
Charge
0
InChI
InChI=1S/C6H6OS/c1-5(7)6-2-3-8-4-6/h2-4H,1H3
InChIKey
RNIDWJDZNNVFDY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cscc1
Isomeric Smiles
c1(C(=O)C)cscc1
Calculated Properties
JChem
Acid pKa
15.62378
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3113353
LogD (pH = 7.4)
1.3113353
Log P
1.3113353
Molar Refractivity
33.5666
Polarizability
12.738056
Polar Surface Area
17.07
Rotatable Bonds
1
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
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