Molecule

ID:3293

General Information
Structure
Molecular Formula
C₂H₆O₃S
Molecular Mass
110.13224
Exact Mass
110.00376505
Charge
0
InChI
InChI=1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)
InChIKey
CCIVGXIOQKPBKL-UHFFFAOYSA-N
Canonic Smiles
CCS(=O)(=O)O
Isomeric Smiles
CCS(=O)(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.83
LogD (pH = 5.5)
-2.83
Log P
-0.45
Rotatable Bonds
1
H Donor
1
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
-1.30
Polar Surface Area
54.37
Polarizability
9.42
Molar Refractivity
21.40
LOG S
0.27
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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