Molecule

ID:34625

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂S
Molecular Mass
120.17012
Exact Mass
120.0245005
Charge
0
InChI
InChI=1S/C4H8O2S/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey
SBJPKUSFMZKDRZ-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)SC
Isomeric Smiles
CC(SC)C(=O)O
Calculated Properties
JChem
Acid pKa
4.4617047
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.11595049
LogD (pH = 7.4)
-1.8806931
Log P
0.95899314
Molar Refractivity
29.6178
Polarizability
11.716761
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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