Molecule

ID:102751

General Information
Structure
MolImage
Molecular Formula
C₃H₃NaO₃S
Molecular Mass
142.10889
Exact Mass
141.97005924
Charge
0
InChI
InChI=1S/C3H4O3S.Na/c4-2(1-7)3(5)6;/h7H,1H2,(H,5,6);/q;+1/p-1
InChIKey
CODUSAVZTZYYDD-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C(=O)CS.[Na+]
Isomeric Smiles
[Na+].[O-]C(=O)C(=O)CS
Calculated Properties
JChem
Acid pKa
2.9127073
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.249066
LogD (pH = 7.4)
-3.1941307
Log P
0.29243937
Molar Refractivity
36.656
Polarizability
9.943871
Polar Surface Area
57.2
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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