Molecule

ID:33574

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂S
Molecular Mass
120.17012
Exact Mass
120.0245005
Charge
0
InChI
InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
VJIKFWJCVWFZIN-UHFFFAOYSA-N
Canonic Smiles
CCSCC(=O)O
Isomeric Smiles
C(=O)(O)CSCC
Calculated Properties
JChem
Acid pKa
4.506657
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.39082423
LogD (pH = 7.4)
-2.1603315
Log P
0.6432589
Molar Refractivity
29.9217
Polarizability
11.716758
Polar Surface Area
37.3
Rotatable Bonds
3
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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