Molecule

ID:71215

General Information
Structure
MolImage
Molecular Formula
C₅H₆OS
Molecular Mass
114.16554
Exact Mass
114.01393581
Charge
0
InChI
InChI=1S/C5H6OS/c1-7-5-3-2-4-6-5/h2-4H,1H3
InChIKey
QNQUVXCNWQTHHY-UHFFFAOYSA-N
Canonic Smiles
CSc1ccco1
Isomeric Smiles
o1c(ccc1)SC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.8309995
LogD (pH = 7.4)
1.8309995
Log P
1.8309995
Molar Refractivity
30.5836
Polarizability
12.096223
Polar Surface Area
13.14
Rotatable Bonds
1
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
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