COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL016910
Chemical Name: methyl2-isothiocyanato-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: S=C=Nc1sc2c(c1C(=O)OC)CCC(C2)C

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Molecular Weight: 267.37
Empirical Formula: C12H13NO2S2

Physical State: Dry powder
Available Amount: 1348 mg

Lipinsky:
logP: 5.843
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 98
Number of rings: 2

     

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