C17H17N5S
[(E)-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylideneamino]thiourea
Also Known As: AO-081/15569284|2,5-dimethyl-1-(6-quinolinyl)-1H-pyrrole-3-carbaldehyde thiosemicarbazone|(E)-2-((2,5-dimethyl-1-(quinolin-6-yl)-1H-pyrrol-3-yl)methylene)hydrazinecarbothioamide|(2E)-2-{[2,5-dimethyl-1-(quinolin-6-yl)-1H-pyrrol-3-yl]methylidene}hydrazinecarbothioamide
CAS: 444092-06-2
| Molecular Formula | C17H17N5S |
|---|---|
| Molecular Weight | 323.12045 g/mol |
| LogP | 2.80944 |
| Topological Polar Surface Area | 68.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.12045 |
| Monoisotopic Mass | 323.12045 |
| Heavy Atoms | 23 |
| Complexity | 910.4878 |
Chemical Identifiers
| CAS Number | 444092-06-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC3=C(C=C2)N=CC=C3)C)/C=N/NC(=S)N |
Product Overview
C17H17N5S (CAS 444092-06-2), with molecular formula C17H17N5S and molecular weight 323.12045 g/mol. IUPAC: [(E)-(2,5-dimethyl-1-quinolin-6-ylpyrrol-3-yl)methylideneamino]thiourea.
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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