| CAS Number | 1017049-48-7 |
| Catalog Number | AG019WY8(AGN-PC-0WO2BZ) |
| Chemical Name | 2-[4-(Pyridin-2-yl)-1,3-thiazol-2-yl]acetonitrile |
| IUPAC Name | 2-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetonitrile |
| InChI | InChI=1S/C10H7N3S/c11-5-4-10-13-9(7-14-10)8-3-1-2-6-12-8/h1-3,6-7H,4H2 |
| InChI Key | QTYMBXHCKHKRGR-UHFFFAOYSA-N |
| MDL Number | MFCD09938083 |
| Molecular Formula | C10H7N3S |
| Molecular Weight | 201.2477 |
| SMILES | N#CCC1SC=C(C2=NC=CC=C2)N=1 |
| Synonyms | 2-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]acetonitrile,
1017049-48-7,
EN300-53499,
AC1Q4S22,
SCHEMBL2228235,
CTK7C9909,
QTYMBXHCKHKRGR-UHFFFAOYSA-N,
FCH030313,
ZINC19477045,
AKOS000180035,
BBV-072923,
MCULE-7929218716,
NE55588,
2-(4-(Pyridin-2-yl)thiazol-2-yl)acetonitrile,
Z803145642,
|
| 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 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number