Molecule

ID:85421

General Information
Structure
MolImage
Molecular Formula
C₄H₅NOS₂
Molecular Mass
147.2186
Exact Mass
146.98125579
Charge
0
InChI
InChI=1S/C4H5NOS2/c1-5-3(6)2-8-4(5)7/h2H2,1H3
InChIKey
JKLZCQWVERBDEZ-UHFFFAOYSA-N
Canonic Smiles
O=C1CSC(=S)N1C
Isomeric Smiles
N1(C(=S)SCC1=O)C
Calculated Properties
JChem
Acid pKa
18.19345
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8357814
LogD (pH = 7.4)
0.8357814
Log P
0.8357814
Molar Refractivity
38.4272
Polarizability
15.117002
Polar Surface Area
20.31
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
References
Bioactivity
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