Molecule

ID:25255

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂S
Molecular Mass
132.18082
Exact Mass
132.0245005
Charge
0
InChI
InChI=1S/C5H8O2S/c1-2-3-8-4-5(6)7/h2H,1,3-4H2,(H,6,7)
InChIKey
BLSMRHBHPHGMSV-UHFFFAOYSA-N
Canonic Smiles
C=CCSCC(=O)O
Isomeric Smiles
C(=O)(O)CSCC=C
Calculated Properties
JChem
Acid pKa
4.500498
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.02195938
LogD (pH = 7.4)
-1.7908778
Log P
1.0177008
Molar Refractivity
34.3358
Polarizability
13.297431
Polar Surface Area
37.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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