Molecule

ID:112591

General Information
Structure
MolImage
Molecular Formula
C₃H₈OS
Molecular Mass
92.16002
Exact Mass
92.02958588
Charge
0
InChI
InChI=1S/C3H8OS/c1-3(4)2-5/h3-5H,2H2,1H3
InChIKey
FETFXNFGOYOOSP-UHFFFAOYSA-N
Canonic Smiles
CC(CS)O
Isomeric Smiles
CC(O)CS
Calculated Properties
JChem
Acid pKa
9.94396
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.3033434
LogD (pH = 7.4)
0.3022078
Log P
0.30335787
Molar Refractivity
25.155
Polarizability
9.934272
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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