Molecule

ID:111571

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂S₄Zn
Molecular Mass
275.74384
Exact Mass
273.8705242
Charge
0
InChI
InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
InChIKey
AMHNZOICSMBGDH-UHFFFAOYSA-L
Canonic Smiles
[S-]C(=S)NCCNC(=S)[S-].[Zn+2]
Isomeric Smiles
[S-]C(=S)NCCNC(=S)[S-].[Zn+2]
Calculated Properties
JChem
LogD (pH = 7.4)
-0.32
LogD (pH = 5.5)
-0.31
Log P
1.97
Rotatable Bonds
3
H Donor
2
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
1.74
Polar Surface Area
24.06
Polarizability
20.94
Molar Refractivity
60.76
LOG S
-3.59
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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