Molecule

ID:110360

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₄S₂
Molecular Mass
182.21804
Exact Mass
181.97075067
Charge
0
InChI
InChI=1S/C4H6O4S2/c5-3(6)1-9-10-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey
DLLMHEDYJQACRM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CSSCC(=O)O
Isomeric Smiles
OC(=O)CSSCC(=O)O
Calculated Properties
JChem
Acid pKa
3.227974
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.6224601
LogD (pH = 7.4)
-6.491385
Log P
0.15127687
Molar Refractivity
39.1496
Polarizability
15.510521
Polar Surface Area
74.6
Rotatable Bonds
5
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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