Molecule
ID:33571
General Information
Molecular Formula
C₅H₁₀O₂S
Molecular Mass
134.1967
Exact Mass
134.04015056
Charge
0
InChI
InChI=1S/C5H10O2S/c1-3-8-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChIKey
QSPCCDNHTPQDKL-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)SCC
Isomeric Smiles
C(=O)(C(SCC)C)O
Calculated Properties
JChem
Acid pKa
4.568316
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.23336755
LogD (pH = 7.4)
-1.540921
Log P
1.2120231
Molar Refractivity
34.4156
Polarizability
13.545058
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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