AC1LY1O3
2-[(9-methyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]-1-phenylethanone
Also Known As: 2-((2-methyl-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidin-7-yl)thio)-1-phenylethanone|2-[(2-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidin-7-yl)sulfanyl]-1-phenylethanone
CAS: 850187-89-2
| Molecular Formula | C21H18N6OS2 |
|---|---|
| Molecular Weight | 434.09836 g/mol |
| LogP | 4.14892 |
| Topological Polar Surface Area | 77.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.09836 |
| Monoisotopic Mass | 434.09836 |
| Heavy Atoms | 30 |
| Complexity | 1432.3142 |
Chemical Identifiers
| CAS Number | 850187-89-2 |
|---|---|
| SMILES | CC1=NN2C(=N1)C3=C(N4C2=NN=C4SCC(=O)C5=CC=CC=C5)SC6=C3CCCC6 |
Product Overview
AC1LY1O3 (CAS 850187-89-2), with molecular formula C21H18N6OS2 and molecular weight 434.09836 g/mol. IUPAC: 2-[(9-methyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),3,5,8,10,13(18)-hexaen-3-yl)sulfanyl]-1-phenylethanone.
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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