![4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile structure](/static/products/2178/21787-04-2.webp)
4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
4-iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile
Also Known As: ChemDiv1_024482|regid7972476|HMS656I18|BAS 00853924|4-iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile|AB00079702-01|4-imino-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile|AG-690/37046254|SR-01000480692-1|4-Imino-4H-9-thia-1,4a-diaza-fluorene-3-carbonitrile
CAS: 21787-04-2
| Molecular Formula | C11H6N4S |
|---|---|
| Molecular Weight | 226.03131 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.03131 |
| Monoisotopic Mass | 226.03131 |
| Heavy Atoms | 16 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 21787-04-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=N)C(=CN=C3S2)C#N |
| InChIKey | YRIBTSMAKJWVNU-UHFFFAOYSA-N |
Product Overview
4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile (CAS 21787-04-2), with molecular formula C11H6N4S and molecular weight 226.03131 g/mol. IUPAC: 4-iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile.
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 →
4-Iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile is a custom synthesis product. We offer services from milligram to kilogram scale.
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