[3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)-2-methylpropyl]-dimethylazanium chloride

CAS: 62674-85-5

Molecular Formula	`C20H23Cl2NOS`
Molecular Weight	396.4 g/mol
Topological Polar Surface Area	46.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	4
Exact Mass	395.08774
Heavy Atoms	25
Complexity	443.0

Chemical Identifiers

CAS Number	62674-85-5
SMILES	`CC(CC1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl)C[NH+](C)C.[Cl-]`
InChIKey	`GDRRBGNXZZFRPK-UHFFFAOYSA-N`

📖 Product Overview

[3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)-2-methylpropyl]-dimethylazanium chloride (CAS: 62674-85-5) is a chemical compound with molecular formula C20H23Cl2NOS and molecular weight 396.4 g/mol. Its IUPAC systematic name is [3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)-2-methylpropyl]-dimethylazanium chloride. Topological Polar Surface Area 46.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 4 Exact Mass 395.08774 Heavy Atoms 25 Complexity 443.0 InChI Key: GDRRBGNXZZFRPK-UHFFFAOYSA-N. SMILES: CC(CC1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl)C[NH+](C)C.[Cl-].

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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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Frequently Asked Questions

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)-2-methylpropyl]-dimethylazanium chloride.

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