Molecule
ID:37485
General Information
Molecular Formula
C₅H₈O₂S
Molecular Mass
132.18082
Exact Mass
132.0245005
Charge
0
InChI
InChI=1S/C5H8O2S/c6-5-1-3-8(7)4-2-5/h1-4H2
InChIKey
CZSXIGLHRRJGPZ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCS(=O)CC1
Isomeric Smiles
S1(=O)CCC(=O)CC1
Calculated Properties
JChem
Acid pKa
19.052961
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.1205239
LogD (pH = 7.4)
-1.1205239
Log P
-1.1205239
Molar Refractivity
33.1452
Polarizability
12.93956
Polar Surface Area
34.14
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
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Related Proteins
No Data Available
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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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