AC1L9JYT
1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate
Also Known As: 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium; 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate|1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate|2,3-Dihydro[1,3]thiazolo[2,3-b][1,3]benzothiazol-4-ium 2-(2-oxo-1,3-benzothiazol-3(2H)-yl)ethane-1-thiolate
| Molecular Formula | C18H16N2OS4 |
|---|---|
| Molecular Weight | 404.01456 g/mol |
| LogP | 3.9044 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.01456 |
| Monoisotopic Mass | 404.01456 |
| Heavy Atoms | 25 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 22274-85-7 |
|---|---|
| SMILES | C1CSC2=[N+]1C3=CC=CC=C3S2.C1=CC=C2C(=C1)N(C(=O)S2)CC[S-] |
| InChIKey | BSNQGKNLMGIPGQ-UHFFFAOYSA-M |
Product Overview
AC1L9JYT (CAS 22274-85-7), with molecular formula C18H16N2OS4 and molecular weight 404.01456 g/mol. IUPAC: 1,2-dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-oxo-1,3-benzothiazol-3-yl)ethanethiolate.
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