| CAS Number | 1049754-88-2 |
| Catalog Number | AG00HAJD(AGN-PC-0WR4KK) |
| Chemical Name | 4-(Chloromethyl)-n-(3,4-dimethylphenyl)-1,3-thiazol-2-amine, HCl |
| IUPAC Name | 4-(chloromethyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C12H13ClN2S.ClH/c1-8-3-4-10(5-9(8)2)14-12-15-11(6-13)7-16-12;/h3-5,7H,6H2,1-2H3,(H,14,15);1H |
| InChI Key | NBNBGCOVTBEZHI-UHFFFAOYSA-N |
| MDL Number | MFCD13969080 |
| Molecular Formula | C12H14Cl2N2S |
| Molecular Weight | 289.2240 |
| SMILES | Cl.CC1=C(C)C=C(NC2SC=C(CCl)N=2)C=C1 |
| Synonyms | 4-(chloromethyl)-N-(3,4-dimethylphenyl)-1,3-thiazol-2-amine hydrochloride,
1049754-88-2,
AC1Q39BC,
CTK6H6828,
MFCD07288530,
AKOS008967713,
NE43655,
EN300-10436,
4-(Chloromethyl)-n-(3,4-dimethylphenyl)-1,3-thiazol-2-amine, HCl,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.218g/mol |
| Monoisotopic Mass | 288.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number