3-Prop-2-ynyl-1,3-benzothiazol-3-ium
3-prop-2-ynyl-1,3-benzothiazol-3-ium
Also Known As: 3-prop-2-ynylbenzothiazole|3-Propargylbenzothiazole-3-ium|benzothiazolium,3-(2-propyn-1-yl)-|3-prop-2-ynyl-1,3-benzothiazol-3-ium|J1.626.043F|3-(prop-2-yn-1-yl)-1,3-benzothiazol-3-ium
CAS: 403601-85-4
| Molecular Formula | C10H8NS+ |
|---|---|
| Molecular Weight | 174.03775 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.03775 |
| Monoisotopic Mass | 174.03775 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 403601-85-4 |
|---|---|
| SMILES | C#CC[N+]1=CSC2=CC=CC=C21 |
| InChIKey | PZVFTGKCZUIYLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Organic Building Blocks (2 patents)
Pharmaceutical Intermediates (7 patents)
Product Overview
3-Prop-2-ynyl-1,3-benzothiazol-3-ium (CAS 403601-85-4), with molecular formula C10H8NS+ and molecular weight 174.03775 g/mol. IUPAC: 3-prop-2-ynyl-1,3-benzothiazol-3-ium.
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 →
3-Prop-2-ynyl-1,3-benzothiazol-3-ium is a custom synthesis product. We offer services from milligram to kilogram scale.
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