Molecule

ID:89809

General Information
Structure
MolImage
Molecular Formula
C₂H₅NOS
Molecular Mass
91.1322
Exact Mass
91.00918479
Charge
0
InChI
InChI=1S/C2H5NOS/c3-2(4)1-5/h5H,1H2,(H2,3,4)
InChIKey
GYXHHICIFZSKKZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)CS
Isomeric Smiles
NC(=O)CS
Calculated Properties
JChem
Acid pKa
9.452701
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.80376786
LogD (pH = 7.4)
-0.80727595
Log P
-0.8037229
Molar Refractivity
22.2951
Polarizability
8.718877
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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