| CAS Number | 50382-34-8 |
| Catalog Number | AG00DJB3(AGN-PC-0A28VG) |
| Chemical Name | 2-(1,3-thiazol-5-yl)acetonitrile |
| IUPAC Name | 2-(1,3-thiazol-5-yl)acetonitrile |
| InChI | InChI=1S/C5H4N2S/c6-2-1-5-3-7-4-8-5/h3-4H,1H2 |
| InChI Key | NHWVXEVKCPDPFB-UHFFFAOYSA-N |
| MDL Number | MFCD09037966 |
| Molecular Formula | C5H4N2S |
| Molecular Weight | 124.1637 |
| SMILES | N#CCC1SC=NC=1 |
| Synonyms | 2-(thiazol-5-yl)acetonitrile,
50382-34-8,
5-Thiazoleacetonitrile,
SCHEMBL3675126,
2-(1,3-thiazol-5-yl)acetonitrile,
ZINC40537991,
1,3-thiazol-5-ylacetonitrile,
|
| Complexity | 115 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.161g/mol |
| Monoisotopic Mass | 124.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number