AC1LFHI9
9,9-dimethyl-13-sulfanylidene-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-11-one
Also Known As: 6,6-dimethyl-9-sulfanyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one|9-mercapto-6,6-dimethyl-5,6-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(12H)-one|9-mercapto-6,6-dimethyl-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
CAS: 690990-72-8
| Molecular Formula | C15H14N4OS |
|---|---|
| Molecular Weight | 298.08884 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.08884 |
| Monoisotopic Mass | 298.08884 |
| Heavy Atoms | 21 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 690990-72-8 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C3=C1C(=O)N4C(=N3)NNC4=S)C |
| InChIKey | PHWBWILDBROEBT-UHFFFAOYSA-N |
Product Overview
AC1LFHI9 (CAS 690990-72-8), with molecular formula C15H14N4OS and molecular weight 298.08884 g/mol. IUPAC: 9,9-dimethyl-13-sulfanylidene-12,14,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-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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