COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK374742
Chemical Name: 3-ethyl-5-methoxy-2-[(1E)-2-(methylsulfanyl)prop-1-en-1-yl]-1,3-benzothiazol-3-ium
Smiles: CS/C(=C/c1sc2c([n+]1CC)cc(cc2)OC)/C

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Saltdata: CH3OSO3-
Molecular Weight: 280.44
Empirical Formula: C14H18NOS2

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 0
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 66
Number of rings: 2

     

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