Molecule

ID:91827

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₄S₂
Molecular Mass
184.23392
Exact Mass
183.98640074
Charge
0
InChI
InChI=1S/C4H8O4S2/c1-10(7,8)9-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
ZKTVHIQLDQIQHX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCSS(=O)(=O)C
Isomeric Smiles
S(CCC(=O)O)S(=O)(=O)C
Calculated Properties
JChem
Acid pKa
3.3174634
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5387425
LogD (pH = 7.4)
-3.794816
Log P
-0.37247273
Molar Refractivity
38.2967
Polarizability
16.10607
Polar Surface Area
71.44
Rotatable Bonds
4
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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