Molecule

ID:9852

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₂S
Molecular Mass
118.15424
Exact Mass
118.00885043
Charge
0
InChI
InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2
InChIKey
AFOSIXZFDONLBT-UHFFFAOYSA-N
Canonic Smiles
C=CS(=O)(=O)C=C
Isomeric Smiles
S(=O)(=O)(C=C)C=C
Calculated Properties
JChem
LogD (pH = 7.4)
0.16
LogD (pH = 5.5)
0.16
Log P
0.16
Rotatable Bonds
2
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Polar Surface Area
34.14
Polarizability
10.82
Molar Refractivity
27.61
LOG S
-0.80
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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