| CAS Number | 119224-70-3 |
| Catalog Number | AG01E7B0(AGN-PC-0NZSXZ) |
| Chemical Name | 4-bromo-3,5-dimethoxy-1,2-thiazole |
| IUPAC Name | 4-bromo-3,5-dimethoxy-1,2-thiazole |
| InChI | InChI=1S/C5H6BrNO2S/c1-8-4-3(6)5(9-2)10-7-4/h1-2H3 |
| InChI Key | QXUSWDSZOXPYAV-UHFFFAOYSA-N |
| MDL Number | MFCD30752491 |
| Molecular Formula | C5H6BrNO2S |
| Molecular Weight | 224.0756 |
| SMILES | COC1C(Br)=C(OC)SN=1 |
| Synonyms | 4-Bromo-3,5-dimethoxy-1,2-thiazole,
119224-70-3,
4-bromo-3,5-dimethoxyisothiazole,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.072g/mol |
| Monoisotopic Mass | 222.93g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number