Molecule
ID:122575
General Information
Molecular Formula
C₅H₈O₃S
Molecular Mass
148.18022
Exact Mass
148.01941512
Charge
0
InChI
InChI=1S/C5H8O3S/c1-5-3-9(6,7)2-4(5)8-5/h4H,2-3H2,1H3
InChIKey
YXKGOIYIAHKTKS-UHFFFAOYSA-N
Canonic Smiles
CC12OC2CS(=O)(=O)C1
Isomeric Smiles
C12(C(O1)CS(=O)(=O)C2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.9865079
LogD (pH = 7.4)
-0.9865079
Log P
-0.9865079
Molar Refractivity
30.6239
Polarizability
13.465109
Polar Surface Area
46.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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