(3S)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine

CAS: 57602-85-4

Molecular Formula	`C21H25ClN2S`
Molecular Weight	373.0 g/mol
LogP	5.1
Topological Polar Surface Area	31.8 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	3
Exact Mass	372.1427
Heavy Atoms	25
Complexity	448.0

Chemical Identifiers

CAS Number	57602-85-4
SMILES	`CCN(C)C1CCN(C1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl`
InChIKey	`HLPPSQPFFGNHHE-HKUYNNGSSA-N`

📖 Product Overview

(3S)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine (CAS: 57602-85-4) is a chemical compound with molecular formula C21H25ClN2S and molecular weight 373.0 g/mol. Its IUPAC systematic name is (3S)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine. LogP 5.1 Topological Polar Surface Area 31.8 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 3 Exact Mass 372.1427 Heavy Atoms 25 Complexity 448.0 InChI Key: HLPPSQPFFGNHHE-HKUYNNGSSA-N. SMILES: CCN(C)C1CCN(C1)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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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 (3S)-1-[(5S)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-N-ethyl-N-methylpyrrolidin-3-amine.

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