Molecule

ID:120452

General Information
Structure
MolImage
Molecular Formula
C₂H₂N₂S₃
Molecular Mass
150.24568
Exact Mass
149.93801107
Charge
0
InChI
InChI=1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)
InChIKey
YWZHEXZIISFIDA-UHFFFAOYSA-N
Canonic Smiles
Sc1ssc(=N)n1
Isomeric Smiles
n1c(=N)ssc1S
Calculated Properties
JChem
Acid pKa
5.682938
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.837333
LogD (pH = 7.4)
0.98832965
Log P
2.036957
Molar Refractivity
47.8929
Polarizability
14.476751
Polar Surface Area
36.21
Rotatable Bonds
0
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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