Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCS(=O)(=O)CC3 |
|---|---|
| IUPAC Name | 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]thiane 1,1-dioxide |
| InChIKey | DTZXAYRWCJAQMB-UHFFFAOYSA-N |
| INCHI | 1S/C14H23BN2O4S/c1-13(2)14(3,4)21-15(20-13)11-9-16-17(10-11)12-5-7-22(18,19)8-6-12/h9-10,12H,5-8H2,1-4H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CCS(=O)(=O)CC3 |
| Alternate CAS | 1778666-13-9 |
| PubChem CID | 123993329 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 326.200 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 326.147 Da |
| Monoisotopic Mass | 326.147 Da |
| Topological Polar Surface Area | 78.800 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 501.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |