ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamatemethanesulfonic acid

ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamate;methanesulfonic acid

CAS: 51724-29-9

Molecular Formula	`C24H35N3O8S3`
Molecular Weight	589.8 g/mol
Topological Polar Surface Area	196.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	589.1586
Heavy Atoms	38
Complexity	618.0

Chemical Identifiers

CAS Number	51724-29-9
SMILES	`CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O`
InChIKey	`JQCATVKDJZXLNP-UHFFFAOYSA-N`

📖 Product Overview

ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamatemethanesulfonic acid (CAS: 51724-29-9) is a chemical compound with molecular formula C24H35N3O8S3 and molecular weight 589.8 g/mol. Its IUPAC systematic name is ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamate;methanesulfonic acid. Topological Polar Surface Area 196.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 11 Rotatable Bonds 4 Exact Mass 589.1586 Heavy Atoms 38 Complexity 618.0 InChI Key: JQCATVKDJZXLNP-UHFFFAOYSA-N. SMILES: CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)C.CS(=O)(=O)O.CS(=O)(=O)O.

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for ethyl N-[5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]carbamatemethanesulfonic acid.

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