3,6-Dimethyl-1,3-benzothiazol-3-ium bromide
3,6-dimethyl-1,3-benzothiazol-3-ium bromide
Also Known As: ACMC-20lh5s|3,6-Dimethyl-1,3-benzothiazol-3-ium bromide|3,6-dimethylbenzothiazole Bromide|Benzothiazolium,3,6-dimethyl-, bromide (1:1)|3,6-dimethyl-1,3-benzothiazol-3-ium,bromide|Benzothiazolium,3,6-dimethyl-,bromide (1:1)
CAS: 89059-13-2
| Molecular Formula | C9H10BrNS |
|---|---|
| Molecular Weight | 242.97173 g/mol |
| LogP | -0.96178 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 242.97173 |
| Monoisotopic Mass | 242.97173 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 89059-13-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)[N+](=CS2)C.[Br-] |
| InChIKey | ZNVYQKJYOOFNLW-UHFFFAOYSA-M |
Product Overview
3,6-Dimethyl-1,3-benzothiazol-3-ium bromide (CAS 89059-13-2), with molecular formula C9H10BrNS and molecular weight 242.97173 g/mol. IUPAC: 3,6-dimethyl-1,3-benzothiazol-3-ium bromide.
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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