BRN 4600110

methyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate

CAS: 88351-73-9

Molecular Formula	`C23H19N3O3S2`
Molecular Weight	449.5 g/mol
LogP	4.9
Topological Polar Surface Area	128.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	449.0868
Heavy Atoms	31
Complexity	668.0

Chemical Identifiers

CAS Number	88351-73-9
SMILES	`COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NCN3C4=CC=CC=C4SC3=S`
InChIKey	`PLUHRVFDQXXMGN-UHFFFAOYSA-N`

📖 Product Overview

BRN 4600110 (CAS: 88351-73-9) is a chemical compound with molecular formula C23H19N3O3S2 and molecular weight 449.5 g/mol. Its IUPAC systematic name is methyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate. LogP 4.9 Topological Polar Surface Area 128.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 449.0868 Heavy Atoms 31 Complexity 668.0 InChI Key: PLUHRVFDQXXMGN-UHFFFAOYSA-N. SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NCN3C4=CC=CC=C4SC3=S.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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