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| IUPAC Name: | prop-2-ynyl benzenesulfonate |
| Description: | Propargyl benzenesulfonate (CAS# 6165-75-9) is a general chemical reagent used in organic syntheses. Used in the manufacture of Omarigliptin, a DPP-4 inhibitor used in the treatment of type-2 diabetes. |
| Molecular Weight: | 196.22 |
| Molecular Formula: | C9H8O3S |
| Canonical SMILES: | C#CCOS(=O)(=O)C1=CC=CC=C1 |
| InChI: | InChI=1S/C9H8O3S/c1-2-8-12-13(10,11)9-6-4-3-5-7-9/h1,3-7H,8H2 |
| InChI Key: | RAGBYXLIHQFIPK-UHFFFAOYSA-N |
| Boiling Point: | 140-142 ℃2 mmHg (lit.) |
| Melting Point: | -30 ℃ (lit.) |
| Purity: | 95 % |
| Density: | 1.24 g/cm3 |
| Appearance: | Pale yellow to dark amber liquid |
| MDL: | MFCD00013459 |
| LogP: | 2.10590 |
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