Molecule

ID:83145

General Information
Structure
Molecular Formula
C₅H₅NS₂
Molecular Mass
143.2299
Exact Mass
142.98634117
Charge
0
InChI
InChI=1S/C5H5NS2/c6-5(7)4-1-2-8-3-4/h1-3H,(H2,6,7)
InChIKey
AFPMDKHZYQALNQ-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1cscc1
Isomeric Smiles
s1cc(C(=S)N)cc1
Calculated Properties
JChem
Acid pKa
12.60532
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.4941977
LogD (pH = 7.4)
1.4942001
Log P
1.4941976
Molar Refractivity
40.2331
Polarizability
15.183297
Polar Surface Area
26.02
Rotatable Bonds
1
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
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References
Bioactivity
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