Molecule

ID:58288

General Information
Structure
MolImage
Molecular Formula
C₄H₈N₄S
Molecular Mass
144.19812
Exact Mass
144.04696728
Charge
0
InChI
InChI=1S/C4H8N4S/c1-2-9-4-6-3(5)7-8-4/h2H2,1H3,(H3,5,6,7,8)
InChIKey
BCCPJGRWTNQHJZ-UHFFFAOYSA-N
Canonic Smiles
CCSc1nc(n[nH]1)N
Isomeric Smiles
n1c(n[nH]c1SCC)N
Calculated Properties
JChem
Acid pKa
11.586866
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.0041938
LogD (pH = 7.4)
0.9711638
Log P
1.0062673
Molar Refractivity
40.5959
Polarizability
14.184981
Polar Surface Area
67.59
Rotatable Bonds
2
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
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References
Bioactivity
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