Molecule

ID:130558

General Information
Structure
MolImage
Molecular Formula
C₃H₈O₆S₂
Molecular Mass
204.22202
Exact Mass
203.97622998
Charge
0
InChI
InChI=1S/C3H8O6S2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H,4,5,6)(H,7,8,9)
InChIKey
MGNVWUDMMXZUDI-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)CCCS(=O)(=O)O
Isomeric Smiles
C(CS(=O)(=O)O)CS(=O)(=O)O
Calculated Properties
JChem
Acid pKa
-1.9697242
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-6.4807143
LogD (pH = 7.4)
-6.4807315
Log P
-1.7279339
Molar Refractivity
36.207
Polarizability
15.948354
Polar Surface Area
108.74
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
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Molecule Details
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References
Bioactivity
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