COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL017958
Chemical Name: diethyl5-isothiocyanato-3-methylthiophene-2,4-dicarboxylate
Smiles: CCOC(=O)c1sc(c(c1C)C(=O)OCC)N=C=S

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Molecular Weight: 299.37
Empirical Formula: C12H13NO4S2

Physical State: Dry powder
Available Amount: 1252 mg

Lipinsky:
logP: 5.427
Rotatable bonds: 6
H-donors: 0
H-acceptors: 4
PSA: 125
Number of rings: 1

     

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