Molecule
ID:64018
General Information
Molecular Formula
C₅H₈O₂S
Molecular Mass
132.18082
Exact Mass
132.0245005
Charge
0
InChI
InChI=1S/C5H8O2S/c1-5(4(6)7)2-8-3-5/h2-3H2,1H3,(H,6,7)
InChIKey
WXZNWQGSKLASHM-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(C)CSC1
Isomeric Smiles
C1(CSC1)(C)C(=O)O
Calculated Properties
JChem
Acid pKa
4.366304
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.09493098
LogD (pH = 7.4)
-1.8459212
Log P
1.0678262
Molar Refractivity
32.363
Polarizability
12.830599
Polar Surface Area
37.3
Rotatable Bonds
1
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
No Data Available
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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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