AC1L8WDH
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1-hydroxy-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-2-yl)ethanone
Also Known As: NCIStruc1_001635|NCIStruc2_001640|NCGC00014784-02|NCGC00097885-01|NCI60_003009|2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1-hydroxy-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-2-yl)ethanone|2-(1,3-benzothiazol-2-ylthio)-1-(3-hydroxy-45-[1,3]thiazolo[2,3-b][1,3]benzothiazol-2-yl)ethanone|2-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-olate
| Molecular Formula | C18H11N2O2S4+ |
|---|---|
| Molecular Weight | 414.97034 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.97034 |
| Monoisotopic Mass | 414.97034 |
| Heavy Atoms | 26 |
| Complexity | 553.0 |
Chemical Identifiers
| CAS Number | 66085-22-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=C([N+]4=C(S3)SC5=CC=CC=C54)O |
| InChIKey | INBZJBYYDIOHLH-UHFFFAOYSA-O |
Product Overview
AC1L8WDH (CAS 66085-22-1), with molecular formula C18H11N2O2S4+ and molecular weight 414.97034 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(1-hydroxy-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-2-yl)ethanone.
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