1,2-Benzisothiazole-3-propanoic acid
3-(1,2-benzothiazol-3-yl)propanoic acid
Also Known As: 1,2-Benzisothiazole-3-propanoic acid|3-(3-Benzisothiazole)propionic acid|1,2-Benzisothiazole-3-propionic acid|3-(1,2-benzothiazol-3-yl)propanoic acid|3-(1,2-Benzisothiazol-3-yl)propanoic acid #
CAS: 50565-45-2
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.0354 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0354 |
| Monoisotopic Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 50565-45-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NS2)CCC(=O)O |
| InChIKey | KFKAZVYTVQXBRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (3 patents)
Heterocyclic Building Blocks (9 patents)
Organometallic Reagents (2 patents)
Product Overview
1,2-Benzisothiazole-3-propanoic acid (CAS 50565-45-2), with molecular formula C10H9NO2S and molecular weight 207.0354 g/mol. IUPAC: 3-(1,2-benzothiazol-3-yl)propanoic acid.
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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