COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL372696
Chemical Name: dimethyl2-isothiocyanatohexanedioate
Smiles: S=C=NC(C(=O)OC)CCCC(=O)OC

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Molecular Weight: 231.27
Empirical Formula: C9H13NO4S

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 2.011
Rotatable bonds: 8
H-donors: 0
H-acceptors: 4
PSA: 97
Number of rings: 0

     

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