Molecule

ID:10970

General Information
Structure
MolImage
Molecular Formula
C₄H₇N₃S₂
Molecular Mass
161.24848
Exact Mass
161.00813924
Charge
0
InChI
InChI=1S/C4H7N3S2/c1-2-8-4-6-3(5)9-7-4/h2H2,1H3,(H2,5,6,7)
InChIKey
QUZMBXKLLAANDL-UHFFFAOYSA-N
Canonic Smiles
CCSc1nsc(n1)N
Isomeric Smiles
n1c(nsc1N)SCC
Calculated Properties
JChem
Acid pKa
14.141088
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7483898
LogD (pH = 7.4)
1.7484015
Log P
1.7484018
Molar Refractivity
42.7561
Polarizability
15.201891
Polar Surface Area
51.8
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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