diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)azanium chloride

CAS: 21609-68-7

Molecular Formula	`C14H20ClNOS`
Molecular Weight	285.8 g/mol
Topological Polar Surface Area	46.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	285.0954
Heavy Atoms	18
Complexity	265.0

Chemical Identifiers

CAS Number	21609-68-7
SMILES	`CC[NH+](CC)C1CCSC2=CC=CC=C2C1=O.[Cl-]`
InChIKey	`SQRBOGICKPRXMQ-UHFFFAOYSA-N`

📖 Product Overview

diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)azanium chloride (CAS: 21609-68-7) is a chemical compound with molecular formula C14H20ClNOS and molecular weight 285.8 g/mol. Its IUPAC systematic name is diethyl-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)azanium chloride. Topological Polar Surface Area 46.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 285.0954 Heavy Atoms 18 Complexity 265.0 InChI Key: SQRBOGICKPRXMQ-UHFFFAOYSA-N. SMILES: CC[NH+](CC)C1CCSC2=CC=CC=C2C1=O.[Cl-].

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