Molecule

ID:104307

General Information
Structure
MolImage
Molecular Formula
C₄H₈OS
Molecular Mass
104.17072
Exact Mass
104.02958588
Charge
0
InChI
InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChIKey
CLUWOWRTHNNBBU-UHFFFAOYSA-N
Canonic Smiles
CSCCC=O
Isomeric Smiles
CSCCC=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.68
LogD (pH = 5.5)
0.68
Log P
0.68
Rotatable Bonds
3
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
17.21
Polar Surface Area
17.07
Polarizability
11.31
Molar Refractivity
28.80
LOG S
0.01
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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