Molecule

ID:104375

General Information
Structure
MolImage
Molecular Formula
C₃H₈O₂S
Molecular Mass
108.15942
Exact Mass
108.0245005
Charge
0
InChI
InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2
InChIKey
PJUIMOJAAPLTRJ-UHFFFAOYSA-N
Canonic Smiles
OCC(CS)O
Isomeric Smiles
OCC(O)CS
Calculated Properties
JChem
LogD (pH = 7.4)
-0.74
LogD (pH = 5.5)
-0.74
Log P
-0.74
Rotatable Bonds
2
H Donor
3
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.92
Polar Surface Area
40.46
Polarizability
10.96
Molar Refractivity
26.70
LOG S
0.23
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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