Molecule

ID:8302

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₃S
Molecular Mass
136.16952
Exact Mass
136.01941512
Charge
0
InChI
InChI=1S/C4H8O3S/c1-4(5)3-8(2,6)7/h3H2,1-2H3
InChIKey
NWEYGXQKFVGUFR-UHFFFAOYSA-N
Canonic Smiles
CC(=O)CS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(CC(=O)C)C
Calculated Properties
JChem
Acid pKa
9.488521
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.0368398
LogD (pH = 7.4)
-1.0403181
Log P
-1.0367953
Molar Refractivity
29.9197
Polarizability
12.45005
Polar Surface Area
51.21
Rotatable Bonds
2
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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