| CAS Number | 1909337-46-7 |
| Catalog Number | AG01C1Q0 |
| Chemical Name | 4-(chloromethyl)-2-(2-phenylethyl)-1,3-thiazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-2-(2-phenylethyl)-1,3-thiazole;hydrochloride |
| InChI | InChI=1S/C12H12ClNS.ClH/c13-8-11-9-15-12(14-11)7-6-10-4-2-1-3-5-10;/h1-5,9H,6-8H2;1H |
| InChI Key | NJFVSMAPBUYXCB-UHFFFAOYSA-N |
| MDL Number | MFCD29047405 |
| Molecular Formula | C12H13Cl2NS |
| Molecular Weight | 274.2093 |
| SMILES | Cl.ClCC1N=C(CCC2=CC=CC=C2)SC=1 |
| Synonyms | 1909337-46-7,
4-(chloromethyl)-2-(2-phenylethyl)-1,3-thiazole hydrochloride,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.203g/mol |
| Monoisotopic Mass | 273.015g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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