Molecule

ID:9782

General Information
Structure
Molecular Formula
C₂H₄N₄S
Molecular Mass
116.14496
Exact Mass
116.01566715
Charge
0
InChI
InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChIKey
ZBXNFTFKKOSPLD-UHFFFAOYSA-N
Canonic Smiles
CSc1nnn[nH]1
Isomeric Smiles
n1nc([nH]n1)SC
Calculated Properties
JChem
Acid pKa
3.4209383
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9464358
LogD (pH = 7.4)
-1.0684264
Log P
0.5415028
Molar Refractivity
30.5508
Polarizability
10.392879
Polar Surface Area
54.46
Rotatable Bonds
1
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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