| CAS Number | 1016859-62-3 |
| Catalog Number | AG01FBRB(AGN-PC-3H49KB) |
| Chemical Name | 2-(4-(Pyridin-3-yl)thiazol-2-yl)acetonitrile |
| IUPAC Name | 2-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetonitrile |
| InChI | InChI=1S/C10H7N3S/c11-4-3-10-13-9(7-14-10)8-2-1-5-12-6-8/h1-2,5-7H,3H2 |
| InChI Key | FAUDLOFDWKFOQO-UHFFFAOYSA-N |
| MDL Number | MFCD09943745 |
| Molecular Formula | C10H7N3S |
| Molecular Weight | 201.2477 |
| SMILES | N#CCc1scc(n1)c1cccnc1 |
| Synonyms | 1016859-62-3,
[4-(3-Pyridyl)thiazole-2-yl]acetonitrile,
2-(4-(Pyridin-3-yl)thiazol-2-yl)acetonitrile,
SCHEMBL20721653,
ZINC19503541,
AKOS000186166,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.247g/mol |
| Monoisotopic Mass | 201.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number