AC1LL2XZ structure

AC1LL2XZ

(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-fluorophenyl)methanone

Also Known As: Oprea1_043492|Oprea1_261776|BAS 00108029|UPCMLD0ENAT0400-0676:001|5-(3-fluorobenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione|AG-690/33091039|(4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-fluorophenyl)methanone|5-(3-FLUOROBENZOYL)-4,4-DIMETHYL-1H,4H,5H-[1,2]DITHIOLO[3,4-C]QUINOLINE-1-THIONE|(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3-fluorophenyl)methanone|(4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)(3-fluorophenyl)methanone|4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl) 3-fluoro phenyl ketone

CAS: 296272-76-9
Molecular Formula C19H14FNOS3
Molecular Weight 387.02216 g/mol
LogP 6.24069
Topological Polar Surface Area 20.31 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 1
Exact Mass 387.02216
Monoisotopic Mass 387.02216
Heavy Atoms 25
Complexity 1050.5728

Chemical Identifiers

CAS Number 296272-76-9
SMILES CC1(C2=C(C3=CC=CC=C3N1C(=O)C4=CC(=CC=C4)F)C(=S)SS2)C

Product Overview

AC1LL2XZ (CAS 296272-76-9), with molecular formula C19H14FNOS3 and molecular weight 387.02216 g/mol. IUPAC: (4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(3-fluorophenyl)methanone.

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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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