| CAS Number | 1547081-09-3 |
| Catalog Number | AG019ZXU |
| Chemical Name | 4-bromo-5-methyl-1,2-thiazole |
| IUPAC Name | 4-bromo-5-methyl-1,2-thiazole |
| InChI | InChI=1S/C4H4BrNS/c1-3-4(5)2-6-7-3/h2H,1H3 |
| InChI Key | OHMWRIIPIJTGKA-UHFFFAOYSA-N |
| MDL Number | MFCD29918993 |
| Molecular Formula | C4H4BrNS |
| Molecular Weight | 178.0503 |
| SMILES | CC1=C(Br)C=NS1 |
| Synonyms | 4-Bromo-5-methylisothiazole,
1547081-09-3,
4-Bromo-5-methyl-isothiazole,
SCHEMBL19436604,
4-bromo-5-methyl-1,2-thiazole,
MFCD29918993,
|
| Complexity | 68.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.047g/mol |
| Monoisotopic Mass | 176.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number