| CAS Number | 1049790-37-5 |
| Catalog Number | AG008TQ5 |
| Chemical Name | 4-(Chloromethyl)-2-(4-isopropylphenyl)thiazole hydrochloride |
| IUPAC Name | 4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole;hydrochloride |
| InChI | InChI=1S/C13H14ClNS.ClH/c1-9(2)10-3-5-11(6-4-10)13-15-12(7-14)8-16-13;/h3-6,8-9H,7H2,1-2H3;1H |
| InChI Key | UYGNYLBJHALWCV-UHFFFAOYSA-N |
| MDL Number | MFCD07287303 |
| Molecular Formula | C13H15Cl2NS |
| Molecular Weight | 288.2359 |
| SMILES | CC(C1=CC=C(C2=NC(CCl)=CS2)C=C1)C.[H]Cl |
| Synonyms | 4-(chloromethyl)-2-(4-isopropylphenyl)-1,3-thiazole hydrochloride,
1049790-37-5,
4-(chloromethyl)-2-[4-(propan-2-yl)phenyl]-1,3-thiazole hydrochloride,
4-(Chloromethyl)-2-(4-isopropylphenyl)thiazole hydrochloride,
AC1Q391E,
CTK6H6761,
AKOS027427051,
NE24134,
EN300-12159,
J-513686,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.23g/mol |
| Monoisotopic Mass | 287.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number