Molecule

ID:33579

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂S
Molecular Mass
134.1967
Exact Mass
134.04015056
Charge
0
InChI
InChI=1S/C5H10O2S/c1-2-8-4-3-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey
MSFAOLUZTRRBJG-UHFFFAOYSA-N
Canonic Smiles
CCSCCC(=O)O
Isomeric Smiles
C(=O)(CCSCC)O
Calculated Properties
JChem
Acid pKa
4.779778
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.29256827
LogD (pH = 7.4)
-1.4829615
Log P
1.0878276
Molar Refractivity
34.5227
Polarizability
13.541071
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
No Data Available
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Molecule Details
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References
Bioactivity
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