| CAS Number | 1254034-55-3 |
| Catalog Number | AG01JGZ1(AGN-PC-3H6DP5) |
| Chemical Name | 2-Bromo-4-methylthiazole-5-carbonitrile |
| IUPAC Name | 2-bromo-4-methyl-1,3-thiazole-5-carbonitrile |
| InChI | InChI=1S/C5H3BrN2S/c1-3-4(2-7)9-5(6)8-3/h1H3 |
| InChI Key | GMPHEYRZCFNQKI-UHFFFAOYSA-N |
| MDL Number | MFCD30292968 |
| Molecular Formula | C5H3BrN2S |
| Molecular Weight | 203.0597 |
| SMILES | N#CC1=C(C)N=C(Br)S1 |
| Synonyms | 2-Bromo-4-methylthiazole-5-carbonitrile,
1254034-55-3,
SCHEMBL290456,
GMPHEYRZCFNQKI-UHFFFAOYSA-N,
ZINC113496721,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.92003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.06g/mol |
| Monoisotopic Mass | 201.92003g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number