Molecule

ID:110043

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₃S
Molecular Mass
150.1961
Exact Mass
150.03506518
Charge
0
InChI
InChI=1S/C5H10O3S/c1-7-2-3-8-5(6)4-9/h9H,2-4H2,1H3
InChIKey
WXYOMNAKWIRZST-UHFFFAOYSA-N
Canonic Smiles
COCCOC(=O)CS
Isomeric Smiles
COCCOC(=O)CS
Calculated Properties
JChem
Acid pKa
9.328006
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.10207837
LogD (pH = 7.4)
0.097410925
Log P
0.10213825
Molar Refractivity
36.2855
Polarizability
14.519642
Polar Surface Area
35.53
Rotatable Bonds
5
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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