Molecule

ID:104580

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂S₂
Molecular Mass
164.29218
Exact Mass
164.04419039
Charge
0
InChI
InChI=1S/C5H9NS2.H3N/c7-5(8)6-3-1-2-4-6;/h1-4H2,(H,7,8);1H3
InChIKey
MDDIUTVUBYEEEM-UHFFFAOYSA-N
Canonic Smiles
SC(=S)N1CCCC1.N
Isomeric Smiles
N.SC(=S)N1CCCC1
Calculated Properties
JChem
Acid pKa
1.9998468
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.55842704
LogD (pH = 7.4)
0.55668265
Log P
1.6996423
Molar Refractivity
43.0595
Polarizability
16.877668
Polar Surface Area
3.24
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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