Determine the necessary mass, volume, or concentration for preparing a solution.
≥97% 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 | CC1=C(C=NN1C)C2=CC(=NC3=C2C(=C(S3)C(=O)N)N)C(F)(F)F |
|---|---|
| IUPAC Name | 3-amino-4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide |
| InChIKey | LXHWKFVCAFOXDZ-UHFFFAOYSA-N |
| INCHI | 1S/C14H12F3N5OS/c1-5-7(4-20-22(5)2)6-3-8(14(15,16)17)21-13-9(6)10(18)11(24-13)12(19)23/h3-4H,18H2,1-2H3,(H2,19,23) |
| Isomeric SMILES | CC1=C(C=NN1C)C2=CC(=NC3=C2C(=C(S3)C(=O)N)N)C(F)(F)F |
| PubChem CID | 17024784 |
| Molecular Weight | 355.34 |
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 | 355.340 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 355.071 Da |
| Monoisotopic Mass | 355.071 Da |
| Topological Polar Surface Area | 128.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 507.000 |
| 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 |