Molecule

ID:113525

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₃S
Molecular Mass
134.15364
Exact Mass
134.00376505
Charge
0
InChI
InChI=1S/C4H6O3S/c5-4-1-2-8(6,7)3-4/h1-2,4-5H,3H2
InChIKey
UGEUCEAIWUTYIC-UHFFFAOYSA-N
Canonic Smiles
OC1C=CS(=O)(=O)C1
Isomeric Smiles
S1(=O)(=O)C=CC(C1)O
Calculated Properties
JChem
Acid pKa
13.882415
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4223287
LogD (pH = 7.4)
-1.4223288
Log P
-1.4223287
Molar Refractivity
28.7224
Polarizability
12.030863
Polar Surface Area
54.37
Rotatable Bonds
0
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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