Molecule

ID:104692

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂S₄
Molecular Mass
240.43288
Exact Mass
239.98833239
Charge
0
InChI
InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
InChIKey
KUAZQDVKQLNFPE-UHFFFAOYSA-N
Canonic Smiles
CN(C(=S)SSC(=S)N(C)C)C
Isomeric Smiles
CN(C)C(=S)SSC(=S)N(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.73
LogD (pH = 5.5)
2.73
Log P
2.73
Rotatable Bonds
3
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
6.48
Polarizability
24.34
Molar Refractivity
69.24
LOG S
-4.00
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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