Molecule

ID:102425

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂S₂
Molecular Mass
144.21796
Exact Mass
143.98159014
Charge
0
InChI
InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKey
ZEQIWKHCJWRNTH-UHFFFAOYSA-N
Canonic Smiles
Sc1ccnc(n1)S
Isomeric Smiles
Sc1nc(S)ncc1
Calculated Properties
JChem
Acid pKa
6.939042
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4944596
LogD (pH = 7.4)
0.96043795
Log P
1.5093933
Molar Refractivity
39.0014
Polarizability
14.673913
Polar Surface Area
25.78
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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