Molecule

ID:109887

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄N₂S₂
Molecular Mass
166.30806
Exact Mass
166.05984046
Charge
0
InChI
InChI=1S/C3H7NS2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3
InChIKey
UVOFGKIRTCCNKG-UHFFFAOYSA-N
Canonic Smiles
CN(C(=S)[S-])C.C[NH2+]C
Isomeric Smiles
C[NH2+]C.CN(C)C(=S)[S-]
Calculated Properties
JChem
Acid pKa
2.0140626
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
0.15268822
LogD (pH = 7.4)
0.1508859
Log P
1.2938448
Molar Refractivity
36.2607
Polarizability
14.217208
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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