Compound C17H18Cl2N2OS

2-(2-chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)ethyl-dimethylazanium chloride

CAS: 78110-21-1

Molecular Formula	`C17H18Cl2N2OS`
Molecular Weight	369.3 g/mol
Topological Polar Surface Area	50.1 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	368.0517
Heavy Atoms	23
Complexity	406.0

Chemical Identifiers

CAS Number	78110-21-1
SMILES	`C[NH+](C)CCN1C2=C(C=C(C=C2)Cl)SC3=CC=CC=C3C1=O.[Cl-]`
InChIKey	`STAUBKXRQJMTFX-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H18Cl2N2OS (CAS: 78110-21-1) is a chemical compound with molecular formula C17H18Cl2N2OS and molecular weight 369.3 g/mol. Its IUPAC systematic name is 2-(2-chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)ethyl-dimethylazanium chloride. Topological Polar Surface Area 50.1 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 368.0517 Heavy Atoms 23 Complexity 406.0 InChI Key: STAUBKXRQJMTFX-UHFFFAOYSA-N. SMILES: C[NH+](C)CCN1C2=C(C=C(C=C2)Cl)SC3=CC=CC=C3C1=O.[Cl-].

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