| CAS Number | 73765-41-0 |
| Catalog Number | AG019MSZ(AGN-PC-0WO4ME) |
| Chemical Name | 4-(chloromethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole |
| IUPAC Name | 4-(chloromethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole |
| InChI | InChI=1S/C11H9Cl2NS/c12-6-10-7-15-11(14-10)5-8-1-3-9(13)4-2-8/h1-4,7H,5-6H2 |
| InChI Key | JKOSBKMDYGIXOQ-UHFFFAOYSA-N |
| MDL Number | MFCD09050363 |
| Molecular Formula | C11H9Cl2NS |
| Molecular Weight | 258.1669 |
| SMILES | ClCC1N=C(CC2=CC=C(Cl)C=C2)SC=1 |
| Synonyms | 4-(chloromethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole,
2-(4-chlorobenzyl)-4-(chloromethyl)-1,3-thiazole,
73765-41-0,
AC1Q3U3F,
SCHEMBL3083715,
CTK6H6797,
JKOSBKMDYGIXOQ-UHFFFAOYSA-N,
ZINC22149004,
AKOS000134048,
MCULE-1373856857,
NE32651,
2-(4-chlorobenzyl)-4-(chloromethyl)thiazole,
EN300-37183,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.16g/mol |
| Monoisotopic Mass | 256.983g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number