Molecule

ID:111223

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂S₂
Molecular Mass
162.2763
Exact Mass
162.02854033
Charge
0
InChI
InChI=1S/C5H10N2S2/c8-5(9)6-7-3-1-2-4-7/h1-4H2,(H2,6,8,9)
InChIKey
BHMARGUMXFEJHW-UHFFFAOYSA-N
Canonic Smiles
SC(=S)NN1CCCC1
Isomeric Smiles
SC(=S)NN1CCCC1
Calculated Properties
JChem
Acid pKa
0.20855124
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
0.25031745
LogD (pH = 7.4)
-0.016465668
Log P
1.304548
Molar Refractivity
46.3595
Polarizability
18.303925
Polar Surface Area
15.27
Rotatable Bonds
1
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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