AC1MXG50
3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
Also Known As: 5,6-Dihydro-5-imino-6-[[1-(2-phenoxyethyl)-1H-pyrrol-2-yl]methylene]-3-[(phenylmethyl)thio]-7H-1,2,4-thiadiazolo[4,5-a]pyrimidin-7-one|3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
CAS: 577761-63-8
| Molecular Formula | C25H21N5O2S2 |
|---|---|
| Molecular Weight | 487.11368 g/mol |
| LogP | 5.07717 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.11368 |
| Monoisotopic Mass | 487.11368 |
| Heavy Atoms | 34 |
| Complexity | 1299.1097 |
Chemical Identifiers
| CAS Number | 577761-63-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NSC3=NC(=O)C(=CC4=CC=CN4CCOC5=CC=CC=C5)C(=N)N32 |
Product Overview
AC1MXG50 (CAS 577761-63-8), with molecular formula C25H21N5O2S2 and molecular weight 487.11368 g/mol. IUPAC: 3-benzylsulfanyl-5-imino-6-[[1-(2-phenoxyethyl)pyrrol-2-yl]methylidene]-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-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.
View MSDS →
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