Molecule

ID:60289

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₄S
Molecular Mass
152.16892
Exact Mass
152.01432974
Charge
0
InChI
InChI=1S/C4H8O4S/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey
ODUCCTTZGHSNKX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCS(=O)(=O)C
Isomeric Smiles
O=S(=O)(C)CCC(=O)O
Calculated Properties
JChem
Acid pKa
3.4940329
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.4311972
LogD (pH = 7.4)
-4.8109455
Log P
-1.4337865
Molar Refractivity
31.234
Polarizability
12.99272
Polar Surface Area
71.44
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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