AC1NQIGN
2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
Also Known As: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone|2-{[4-(3,4-Dimethylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)ethan-1-one
CAS: 5709-53-5
| Molecular Formula | C30H28N4OS |
|---|---|
| Molecular Weight | 492.1984 g/mol |
| LogP | 6.93368 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.1984 |
| Monoisotopic Mass | 492.1984 |
| Heavy Atoms | 36 |
| Complexity | 1534.4861 |
Chemical Identifiers
| CAS Number | 5709-53-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=NN=C2SCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4)C)C5=CC=CC=C5)C |
Product Overview
AC1NQIGN (CAS 5709-53-5), with molecular formula C30H28N4OS and molecular weight 492.1984 g/mol. IUPAC: 2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone.
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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