Molecule

ID:117264

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂S₂
Molecular Mass
160.26042
Exact Mass
160.01289027
Charge
0
InChI
InChI=1S/C5H8N2S2/c1-8-2-4-3-9-5(6)7-4/h3H,2H2,1H3,(H2,6,7)
InChIKey
ZFLUGANUQSAEDI-UHFFFAOYSA-N
Canonic Smiles
CSCc1csc(n1)N
Isomeric Smiles
n1c(scc1CSC)N
Calculated Properties
JChem
Acid pKa
16.693745
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1934173
LogD (pH = 7.4)
1.2317941
Log P
1.2323074
Molar Refractivity
42.5118
Polarizability
16.00034
Polar Surface Area
38.91
Rotatable Bonds
2
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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