Molecule

ID:52160

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂S₂
Molecular Mass
198.3084
Exact Mass
198.02854033
Charge
0
InChI
InChI=1S/C8H10N2S2/c1-12-7-5-3-2-4-6(7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
SFMWWKUSCXABIB-UHFFFAOYSA-N
Canonic Smiles
CSc1ccccc1NC(=S)N
Isomeric Smiles
N(C(=S)N)c1c(cccc1)SC
Calculated Properties
JChem
Acid pKa
6.555398
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.360759
LogD (pH = 7.4)
1.622652
Log P
2.3954973
Molar Refractivity
60.3475
Polarizability
22.77634
Polar Surface Area
38.05
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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