AC1LJV3P structure

AC1LJV3P

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

Also Known As: Oprea1_788214|Oprea1_809381|BAS 00802153|6-ethoxy-5-(4-methoxybenzoyl)-4,4-dimethyl-4,5-dihydro-1H-[1,2]dithiolo[3,4-c]quinoline-1-thione|AG-690/12887282|(6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-methoxyphenyl)methanone|(6-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(4-methoxyphenyl)methanone|(6-Ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-2,3-dithia-5-aza-cyclopenta[a]naphthalen-5-yl)-(4-methoxy-phenyl)-methanone|(6-ethoxy-4,4-dimethyl-1-thioxo-1H-[1,2]dithiolo[3,4-c]quinolin-5(4H)-yl)(4-methoxyphenyl)methanone|6-ethoxy-4,4-dimethyl-1-thioxo(4,5-dihydro-1,2-dithioleno[5,4-c]quinolin-5-yl) 4-methoxyphenyl ketone

CAS: 330179-96-9
Molecular Formula C22H21NO3S3
Molecular Weight 443.06836 g/mol
LogP 6.50889
Topological Polar Surface Area 38.77 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 443.06836
Monoisotopic Mass 443.06836
Heavy Atoms 29
Complexity 1128.9495

Chemical Identifiers

CAS Number 330179-96-9
SMILES CCOC1=CC=CC2=C1N(C(C3=C2C(=S)SS3)(C)C)C(=O)C4=CC=C(C=C4)OC

Product Overview

AC1LJV3P (CAS 330179-96-9), with molecular formula C22H21NO3S3 and molecular weight 443.06836 g/mol. IUPAC: (6-ethoxy-4,4-dimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)-(4-methoxyphenyl)methanone.

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