AC1LYCXG structure

AC1LYCXG

3-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Also Known As: [1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio]-|3-(4-chlorophenyl)-2-((2-methylallyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|3-(4-chlorophenyl)-2-[(2-methyl-2-propenyl)thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-(4-Chlorophenyl)-5,6,7,8-tetrahydro-2-[(2-methyl-2-propen-1-yl)thio][1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|3-(4-chlorophenyl)-2-(2-methylprop-2-enylthio)-3,5,6,7,8-pentahydrobenzo[b]thi opheno[2,3-d]pyrimidin-4-one|3-(4-chlorophenyl)-2-[(2-methylprop-2-en-1-yl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-(4-Chlorophenyl)-5,6,7,8-tetrahydro-2-((2-methyl-2-propen-1-yl)thio)(1)benzothieno(2,3-d)pyrimidin-4(3H)-one

CAS: 613227-83-1
Molecular Formula C20H19ClN2OS2
Molecular Weight 402.06274 g/mol
LogP 5.6476
Topological Polar Surface Area 34.89 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 4
Exact Mass 402.06274
Monoisotopic Mass 402.06274
Heavy Atoms 26
Complexity 1050.3438

Chemical Identifiers

CAS Number 613227-83-1
SMILES CC(=C)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=C(C=C4)Cl

Product Overview

AC1LYCXG (CAS 613227-83-1), with molecular formula C20H19ClN2OS2 and molecular weight 402.06274 g/mol. IUPAC: 3-(4-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-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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