Molecule

ID:54294

General Information
Structure
MolImage
Molecular Formula
C₆H₈O₃S
Molecular Mass
160.19092
Exact Mass
160.01941512
Charge
0
InChI
InChI=1S/C6H8O3S/c1-9-6(8)4-2-10-3-5(4)7/h4H,2-3H2,1H3
InChIKey
LEAKUJFYXNILRB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CSCC1=O
Isomeric Smiles
C1(C(=O)OC)C(=O)CSC1
Calculated Properties
JChem
Acid pKa
9.739452
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.43496647
LogD (pH = 7.4)
0.43303517
Log P
0.43499118
Molar Refractivity
37.9253
Polarizability
15.036325
Polar Surface Area
43.37
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
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Molecule Details
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References
Bioactivity
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