| CAS Number | 1006047-45-5 |
| Catalog Number | AG009A7E |
| Chemical Name | 4-Thiazolecarbonitrile, 5-chloro- |
| IUPAC Name | 5-chloro-1,3-thiazole-4-carbonitrile |
| InChI | InChI=1S/C4HClN2S/c5-4-3(1-6)7-2-8-4/h2H |
| InChI Key | DYCZOLKTTZYKLA-UHFFFAOYSA-N |
| MDL Number | MFCD13179596 |
| Molecular Formula | C4HClN2S |
| Molecular Weight | 144.5821 |
| SMILES | ClC1=C(N=CS1)C#N |
| Synonyms | 1006047-45-5,
5-Chlorothiazole-4-carbonitrile,
5-chloro-4-Thiazolecarbonitrile,
5-chloro-4-cyanothiazole,
4-Thiazolecarbonitrile, 5-chloro-,
SCHEMBL691110,
DYCZOLKTTZYKLA-UHFFFAOYSA-N,
4-Thiazolecarbonitrile, 5-chloro-,
ZINC39134448,
AKOS027440557,
5-chloro-1,3-thiazole-4-carbonitrile,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.576g/mol |
| Monoisotopic Mass | 143.955g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number