Molecule

ID:85199

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃OS
Molecular Mass
143.167
Exact Mass
143.0153328
Charge
0
InChI
InChI=1S/C4H5N3OS/c1-9-4-6-3(8)2-5-7-4/h2H,1H3,(H,6,7,8)
InChIKey
ZJFYWFHUHCUNTH-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(=O)cn[nH]1
Isomeric Smiles
n1c([nH]ncc1=O)SC
Calculated Properties
JChem
Acid pKa
6.7051
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.5340244
LogD (pH = 7.4)
-0.06250965
Log P
0.55797
Molar Refractivity
45.7365
Polarizability
13.200088
Polar Surface Area
53.82
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
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Molecule Details
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References
Bioactivity
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