Molecule

ID:80294

General Information
Structure
MolImage
Molecular Formula
C₃H₃N₃S₂
Molecular Mass
145.20602
Exact Mass
144.97683911
Charge
0
InChI
InChI=1S/C3H3N3S2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8)
InChIKey
IIYCDUJGGHBHAQ-UHFFFAOYSA-N
Canonic Smiles
S=c1cn[nH]c(=S)[nH]1
Isomeric Smiles
[nH]1c(=S)[nH]ncc1=S
Calculated Properties
JChem
Acid pKa
7.985393
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.9457218
LogD (pH = 7.4)
0.8586033
Log P
0.94768476
Molar Refractivity
40.0037
Polarizability
15.410344
Polar Surface Area
36.42
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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