Octoclothepine

1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine

CAS: 13448-22-1

Molecular Formula	`C19H21ClN2S`
Molecular Weight	344.9 g/mol
LogP	4.3
Topological Polar Surface Area	31.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	1
Exact Mass	344.1114
Heavy Atoms	23
Complexity	399.0

Chemical Identifiers

CAS Number	13448-22-1
SMILES	`CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl`
InChIKey	`XRYLGRGAWQSVQW-UHFFFAOYSA-N`

📖 Product Overview

Octoclothepine (CAS: 13448-22-1) is a chemical compound with molecular formula C19H21ClN2S and molecular weight 344.9 g/mol. Its IUPAC systematic name is 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine. LogP 4.3 Topological Polar Surface Area 31.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 1 Exact Mass 344.1114 Heavy Atoms 23 Complexity 399.0 InChI Key: XRYLGRGAWQSVQW-UHFFFAOYSA-N. SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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