AC1O0ZJH
(6E)-2-benzyl-6-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-2-benzyl-6-((2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-2-benzyl-6-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CAS: 877804-80-3
| Molecular Formula | C26H23N5OS |
|---|---|
| Molecular Weight | 453.16232 g/mol |
| LogP | 5.26443 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.16232 |
| Monoisotopic Mass | 453.16232 |
| Heavy Atoms | 33 |
| Complexity | 1363.6687 |
Chemical Identifiers
| CAS Number | 877804-80-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC5=CC=CC=C5)C |
Product Overview
AC1O0ZJH (CAS 877804-80-3), with molecular formula C26H23N5OS and molecular weight 453.16232 g/mol. IUPAC: (6E)-2-benzyl-6-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-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.
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