Molecule

ID:82198

General Information
Structure
MolImage
Molecular Formula
C₅H₇NOS₂
Molecular Mass
161.24518
Exact Mass
160.99690585
Charge
0
InChI
InChI=1S/C5H7NOS2/c1-2-6-4(7)3-9-5(6)8/h2-3H2,1H3
InChIKey
UPCYEFFISUGBRW-UHFFFAOYSA-N
Canonic Smiles
CCN1C(=S)SCC1=O
Isomeric Smiles
N1(C(=S)SCC1=O)CC
Calculated Properties
JChem
Acid pKa
18.188335
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1925894
LogD (pH = 7.4)
1.1925894
Log P
1.1925894
Molar Refractivity
43.1758
Polarizability
16.955563
Polar Surface Area
20.31
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
Molecule Details
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References
Bioactivity
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