Molecule

ID:65190

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₃S
Molecular Mass
148.18022
Exact Mass
148.01941512
Charge
0
InChI
InChI=1S/C5H8O3S/c6-5-2-1-3-9(7,8)4-5/h1-4H2
InChIKey
UCVLBKIDCLECCH-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCS(=O)(=O)C1
Isomeric Smiles
C1CCS(=O)(=O)CC1=O
Calculated Properties
JChem
Acid pKa
9.335444
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.65766644
LogD (pH = 7.4)
-0.6626061
Log P
-0.6576031
Molar Refractivity
32.732
Polarizability
13.56501
Polar Surface Area
51.21
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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