| CAS Number | 1171901-42-0 |
| Catalog Number | AG019UIH |
| Chemical Name | 5-[(4-Bromo-3-methylphenyl)methyl]-1,3-thiazol-2-amine hydrochloride |
| IUPAC Name | 5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C11H11BrN2S.ClH/c1-7-4-8(2-3-10(7)12)5-9-6-14-11(13)15-9;/h2-4,6H,5H2,1H3,(H2,13,14);1H |
| InChI Key | RBCSBIXHZPBULW-UHFFFAOYSA-N |
| MDL Number | MFCD11795704 |
| Molecular Formula | C11H12BrClN2S |
| Molecular Weight | 319.6484 |
| SMILES | Cl.CC1=C(Br)C=CC(CC2SC(N)=NC=2)=C1 |
| Synonyms | 5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-amine hydrochloride,
1171901-42-0,
AC1Q39AY,
CTK7E1143,
MCULE-8032239918,
NE35641,
EN300-41794,
Z425484972,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.645g/mol |
| Monoisotopic Mass | 317.959g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number