benzothiazolium, 3-ethyl-2-sulfo-, inner salt
3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate
Also Known As: Benzothiazolium, 3-ethyl-2-sulfo-, inner salt|3-Ethyl-2-sulphonatobenzothiazolium|3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate|3-ethyl-2-benzothiazoliosulfonate|3-ethylbenzothiazolium 2-sulfonate|3-Ethyl-2-sulfonatobenzothiazol-3-ium|3-ethyl-2-sulfo-benzothiazolium betaine|Benzothiazolium, 3-ethyl-2-sulfo-, hydroxide, inner salt
| Molecular Formula | C9H9NO3S2 |
|---|---|
| Molecular Weight | 243.00238 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 97.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.00238 |
| Monoisotopic Mass | 243.00238 |
| Heavy Atoms | 15 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 50818-84-3 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)S(=O)(=O)[O-] |
| InChIKey | TXEMEBFCLLLUKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
benzothiazolium, 3-ethyl-2-sulfo-, inner salt (CAS 50818-84-3), with molecular formula C9H9NO3S2 and molecular weight 243.00238 g/mol. IUPAC: 3-ethyl-1,3-benzothiazol-3-ium-2-sulfonate.
benzothiazolium, 3-ethyl-2-sulfo-, inner salt is a custom synthesis product. We offer services from milligram to kilogram scale.
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