Molecule
ID:69611
General Information
Molecular Formula
C₄H₇NO₂S
Molecular Mass
133.16888
Exact Mass
133.01974947
Charge
0
InChI
InChI=1S/C4H7NO2S/c1-2-7-4(8)3(5)6/h2H2,1H3,(H2,5,6)
InChIKey
ZEJPMRKECMRICL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=S)C(=O)N
Isomeric Smiles
C(=S)(C(=O)N)OCC
Calculated Properties
JChem
Acid pKa
15.378516
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.55521077
LogD (pH = 7.4)
0.55521077
Log P
0.55521077
Molar Refractivity
33.7694
Polarizability
13.477152
Polar Surface Area
52.32
Rotatable Bonds
3
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
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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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