Molecule

ID:111473

General Information
Structure
MolImage
Molecular Formula
C₃H₆O₆S₃
Molecular Mass
234.27114
Exact Mass
233.93265091
Charge
0
InChI
InChI=1S/C3H6O6S3/c4-10(5)1-11(6,7)3-12(8,9)2-10/h1-3H2
InChIKey
DNVUITIVPMGLBU-UHFFFAOYSA-N
Canonic Smiles
O=S1(=O)CS(=O)(=O)CS(=O)(=O)C1
Isomeric Smiles
O=S1(=O)CS(=O)(=O)CS(=O)(=O)C1
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
-2.7211463
LogD (pH = 7.4)
-2.7211463
Log P
-2.7211463
Molar Refractivity
38.4441
Polarizability
18.505594
Polar Surface Area
102.42
Rotatable Bonds
0
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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