Molecule

ID:68916

General Information
Structure
MolImage
Molecular Formula
C₅H₆OS
Molecular Mass
114.16554
Exact Mass
114.01393581
Charge
0
InChI
InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
InChIKey
BOWIFWCBNWWZOG-UHFFFAOYSA-N
Canonic Smiles
OCc1cscc1
Isomeric Smiles
C(O)c1cscc1
Calculated Properties
JChem
Acid pKa
14.6615095
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.986338
LogD (pH = 7.4)
0.98633796
Log P
0.986338
Molar Refractivity
29.9797
Polarizability
11.448727
Polar Surface Area
20.23
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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