Molecule

ID:53161

General Information
Structure
MolImage
Molecular Formula
C₂H₆O₂S₂
Molecular Mass
126.19784
Exact Mass
125.98092143
Charge
0
InChI
InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
InChIKey
XYONNSVDNIRXKZ-UHFFFAOYSA-N
Canonic Smiles
CSS(=O)(=O)C
Isomeric Smiles
CS(=O)(=O)SC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.06
LogD (pH = 5.5)
-0.06
Log P
-0.06
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-9.12
Polar Surface Area
34.14
Polarizability
11.30
Molar Refractivity
27.54
LOG S
-0.23
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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