Molecule

ID:9778

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₄S
Molecular Mass
152.16892
Exact Mass
152.01432974
Charge
0
InChI
InChI=1S/C4H8O4S/c1-8-4(5)3-9(2,6)7/h3H2,1-2H3
InChIKey
RQKDASVRZONLNQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(CC(=O)OC)C
Calculated Properties
JChem
Acid pKa
11.461073
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.2205272
LogD (pH = 7.4)
-1.2205644
Log P
-1.2205267
Molar Refractivity
31.1377
Polarizability
13.21938
Polar Surface Area
60.44
Rotatable Bonds
3
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
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References
Bioactivity
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