| CAS Number | 2177266-50-9 |
| Catalog Number | AG01FLGL(AGN-PC-3H4B6P) |
| Chemical Name | 4-(pyridin-2-yl)tetrahydro-2H-thiopyran-4-carbonitrile |
| IUPAC Name | 4-pyridin-2-ylthiane-4-carbonitrile |
| InChI | InChI=1S/C11H12N2S/c12-9-11(4-7-14-8-5-11)10-3-1-2-6-13-10/h1-3,6H,4-5,7-8H2 |
| InChI Key | JNZPHNABONALRL-UHFFFAOYSA-N |
| MDL Number | MFCD31652559 |
| Molecular Formula | C11H12N2S |
| Molecular Weight | 204.2914 |
| SMILES | N#CC1(CCSCC1)c1ccccn1 |
| Synonyms | 4-(Pyridin-2-yl)tetrahydro-2H-thiopyran-4-carbonitrile,
CS-0079997,
2177266-50-9,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.07212g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.29g/mol |
| Monoisotopic Mass | 204.07212g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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