COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK396448
Chemical Name: 3-{2-[(3-sulfopropyl)sulfanyl]-1,3-benzothiazol-3-ium-3-yl}propane-1-sulfonate
Smiles: [O-]S(=O)(=O)CCC[n+]1c(SCCCS(=O)(=O)O)sc2c1cccc2

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Molecular Weight: 411.55
Empirical Formula: C13H17NO6S4

Physical State: Dry powder
Available Amount: 4366 mg

Lipinsky:
logP: 0
Rotatable bonds: 9
H-donors: 1
H-acceptors: 6
PSA: 185
Number of rings: 2

     

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