| CAS Number | 1443014-87-6 |
| Catalog Number | AG01FQM7(AGN-PC-3H5P9H) |
| Chemical Name | Ethyl 4-bromo-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate |
| IUPAC Name | ethyl 4-bromo-2-methylsulfanyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C7H8BrNO2S2/c1-3-11-6(10)4-5(8)9-7(12-2)13-4/h3H2,1-2H3 |
| InChI Key | CZZUPRYKHVECBT-UHFFFAOYSA-N |
| MDL Number | MFCD28100422 |
| Molecular Formula | C7H8BrNO2S2 |
| Molecular Weight | 282.1779 |
| SMILES | BrC=1N=C(SC1C(=O)OCC)SC |
| Synonyms | SCHEMBL17385467,
AS-70755,
ethyl 4-bromo-2-(methylsulfanyl)-1,3-thiazole-5-carboxylate,
1443014-87-6,
ethyl 4-bromo-2-(methylthio)thiazole-5-carboxylate,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.91798g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.2g/mol |
| Monoisotopic Mass | 280.91798g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number