| CAS Number | 1373223-08-5 |
| Catalog Number | AG009K5V(AGN-PC-0WGG5W) |
| Chemical Name | METHYL 5-AMINO-2-BROMOTHIAZOLE-4-CARBOXYLATE |
| IUPAC Name | methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate |
| InChI | InChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(7)11-5(6)8-2/h7H2,1H3 |
| InChI Key | ZUZZOMNVTBAESU-UHFFFAOYSA-N |
| MDL Number | MFCD22201201 |
| Molecular Formula | C5H5BrN2O2S |
| Molecular Weight | 237.0744 |
| SMILES | COC(C1=C(N)SC(Br)=N1)=O |
| Synonyms | methyl 5-amino-2-bromothiazole-4-carboxylate,
1373223-08-5,
5-Amino-2-bromo-thiazole-4-carboxylic acid methyl ester,
Methyl 5-amino-2-bromo-1,3-thiazole-4-carboxylate,
SCHEMBL15872816,
ZUZZOMNVTBAESU-UHFFFAOYSA-N,
ZINC95635284,
Z-7307,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.071g/mol |
| Monoisotopic Mass | 235.926g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number