Molecule

ID:116209

General Information
Structure
Molecular Formula
C₆H₈N₂S
Molecular Mass
140.20612
Exact Mass
140.04081927
Charge
0
InChI
InChI=1S/C6H8N2S/c7-6-8-4-2-1-3-5(4)9-6/h1-3H2,(H2,7,8)
InChIKey
HUKBELGUWQLEFD-UHFFFAOYSA-N
Canonic Smiles
Nc1sc2c(n1)CCC2
Isomeric Smiles
n1c(sc2c1CCC2)N
Calculated Properties
JChem
Acid pKa
17.789038
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2998167
LogD (pH = 7.4)
1.4981295
Log P
1.5014036
Molar Refractivity
37.8356
Polarizability
13.894034
Polar Surface Area
38.91
Rotatable Bonds
0
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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