Molecule

ID:110463

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂S
Molecular Mass
134.1967
Exact Mass
134.04015056
Charge
0
InChI
InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3
InChIKey
MDIAKIHKBBNYHF-UHFFFAOYSA-N
Canonic Smiles
CSCC(=O)OCC
Isomeric Smiles
CCOC(=O)CSC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8929309
LogD (pH = 7.4)
0.8929309
Log P
0.8929309
Molar Refractivity
34.6416
Polarizability
13.787119
Polar Surface Area
26.3
Rotatable Bonds
4
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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