| CAS Number | 50398-77-1 |
| Catalog Number | AG01A6F1(AGN-PC-0WO4PW) |
| Chemical Name | 5-Chloro-2-(chloromethyl)-1,3-thiazole |
| IUPAC Name | 5-chloro-2-(chloromethyl)-1,3-thiazole |
| InChI | InChI=1S/C4H3Cl2NS/c5-1-4-7-2-3(6)8-4/h2H,1H2 |
| InChI Key | PIWAQJGLVRKTOM-UHFFFAOYSA-N |
| MDL Number | MFCD12405636 |
| Molecular Formula | C4H3Cl2NS |
| Molecular Weight | 168.0443 |
| SMILES | C1=C(SC(=N1)CCl)Cl |
| Synonyms | 50398-77-1,
5-chloro-2-(chloromethyl)-1,3-thiazole,
2-(Chloromethyl)-5-Chloro-1,3-Thiazole,
CTK8E3422,
5-Chloro-2-(chloromethyl)thiazole,
ZINC67176202,
AKOS014315808,
NE26701,
Thiazole, 5-chloro-2-(chloromethyl)-,
TX-012617,
BB 0261125,
J-508813,
2-Chloro-5-chloromethylthiazole,
|
| Complexity | 80.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.035g/mol |
| Monoisotopic Mass | 166.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number