AC1LYQWK structure

AC1LYQWK

(E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one

Also Known As: BAS 00501731|(E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one|(2E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-thioxo(4,5-dihydro-1,2-dithiolen o[5,4-c]quinolin-5-yl))prop-2-en-1-one|(2E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one|(E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)prop-2-en-1-one

CAS: 354540-54-8
Molecular Formula C23H21NO2S3
Molecular Weight 439.07346 g/mol
LogP 6.81821
Topological Polar Surface Area 29.54 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 439.07346
Monoisotopic Mass 439.07346
Heavy Atoms 29
Complexity 1169.5787

Chemical Identifiers

CAS Number 354540-54-8
SMILES CC1=CC2=C(C=C1)C3=C(C(N2C(=O)/C=C/C4=CC=C(C=C4)OC)(C)C)SSC3=S

Product Overview

AC1LYQWK (CAS 354540-54-8), with molecular formula C23H21NO2S3 and molecular weight 439.07346 g/mol. IUPAC: (E)-3-(4-methoxyphenyl)-1-(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one.

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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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