AC1L71AQ structure

AC1L71AQ

5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1λ6-thia-2-azacyclohexa-1,3,5-triene-4-carbonitrile

Also Known As: 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1|5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1lambda6-thia-2-azacyclo|5-Ethoxy-1-methyl-3-(methylsulfanyl)-1-oxo-1lambda~6~,2-thiazine-4-carbonitrile|5-Ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1lambda6-thia-2-azacyclohexa-2,4,6-triene-4-carbonitrile

CAS: 65322-16-9
Molecular Formula C9H12N2O2S2
Molecular Weight 244.03403 g/mol
LogP 1.2
Topological Polar Surface Area 96.1 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 244.03403
Monoisotopic Mass 244.03403
Heavy Atoms 15
Complexity 487.0

Chemical Identifiers

CAS Number 65322-16-9
SMILES CCOC1=CS(=NC(=C1C#N)SC)(=O)C
InChIKey FHEXNQHIRLJGLY-UHFFFAOYSA-N

Product Overview

AC1L71AQ (CAS 65322-16-9), with molecular formula C9H12N2O2S2 and molecular weight 244.03403 g/mol. IUPAC: 5-ethoxy-1-methyl-3-methylsulfanyl-1-oxo-1λ6-thia-2-azacyclohexa-1,3,5-triene-4-carbonitrile.

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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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