Molecule

ID:85708

General Information
Structure
MolImage
Molecular Formula
C₂H₆N₄S
Molecular Mass
118.16084
Exact Mass
118.03131721
Charge
0
InChI
InChI=1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChIKey
OKGXJRGLYVRVNE-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NC(=S)N
Isomeric Smiles
N(C(=N)N)C(=S)N
Calculated Properties
JChem
Acid pKa
12.784931
H Acceptors
2
H Donor
4
LogD (pH = 5.5)
-3.1472301
LogD (pH = 7.4)
-2.542353
Log P
-0.7490733
Molar Refractivity
41.9702
Polarizability
11.999893
Polar Surface Area
87.92
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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