AC1N754D
9-ethyl-9,17-dimethyl-13-methylsulfanyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-11-one
Also Known As: 6-ethyl-6,12-dimethyl-9-(methylthio)-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one|6-ethyl-6,12-dimethyl-9-(methylsulfanyl)-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
CAS: 836634-50-5
| Molecular Formula | C18H20N4OS |
|---|---|
| Molecular Weight | 340.13577 g/mol |
| LogP | 3.0407 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.13577 |
| Monoisotopic Mass | 340.13577 |
| Heavy Atoms | 24 |
| Complexity | 1019.76605 |
Chemical Identifiers
| CAS Number | 836634-50-5 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N4C(=NN=C4SC)N3C)C |
Product Overview
AC1N754D (CAS 836634-50-5), with molecular formula C18H20N4OS and molecular weight 340.13577 g/mol. IUPAC: 9-ethyl-9,17-dimethyl-13-methylsulfanyl-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaen-11-one.
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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