N-[(7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]formamide

N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide

CAS: 2731-23-9

Molecular Formula	`C21H23NO5S`
Molecular Weight	401.5 g/mol
LogP	1.8
Topological Polar Surface Area	99.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	401.1297
Heavy Atoms	28
Complexity	701.0

Chemical Identifiers

CAS Number	2731-23-9
SMILES	`COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC`
InChIKey	`QWMGUEXZTDFFTR-HNNXBMFYSA-N`

📖 Product Overview

N-[(7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]formamide (CAS: 2731-23-9) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.5 g/mol. Its IUPAC systematic name is N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]formamide. LogP 1.8 Topological Polar Surface Area 99.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 401.1297 Heavy Atoms 28 Complexity 701.0 InChI Key: QWMGUEXZTDFFTR-HNNXBMFYSA-N. SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC.

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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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for N-[(7S)-5,6,7,9-Tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]formamide.

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