Benzothiazolium, 3-butyl-, bromide
3-butyl-1,3-benzothiazol-3-ium bromide
Also Known As: Benzothiazolium, 3-butyl-, bromide|3-butyl-1,3-benzothiazol-3-ium bromide
CAS: 87910-63-2
| Molecular Formula | C11H14BrNS |
|---|---|
| Molecular Weight | 271.00302 g/mol |
| LogP | -0.0071 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.00302 |
| Monoisotopic Mass | 271.00302 |
| Heavy Atoms | 14 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 87910-63-2 |
|---|---|
| SMILES | CCCC[N+]1=CSC2=CC=CC=C21.[Br-] |
| InChIKey | DXNXFPFGRQRZCO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (14 patents)
Specialty Chemicals (1 patents)
Product Overview
Benzothiazolium, 3-butyl-, bromide (CAS 87910-63-2), with molecular formula C11H14BrNS and molecular weight 271.00302 g/mol. IUPAC: 3-butyl-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.
View MSDS →
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