| CAS Number | 1289002-93-2 |
| Catalog Number | AG009WWW(AGN-PC-0WAA1B) |
| Chemical Name | 4-Bromo-2-(4-ethylpiperazino)thiazole |
| IUPAC Name | 4-bromo-2-(4-ethylpiperazin-1-yl)-1,3-thiazole |
| InChI | InChI=1S/C9H14BrN3S/c1-2-12-3-5-13(6-4-12)9-11-8(10)7-14-9/h7H,2-6H2,1H3 |
| InChI Key | BEXYIGZUVZHULX-UHFFFAOYSA-N |
| MDL Number | MFCD21912534 |
| Molecular Formula | C9H14BrN3S |
| Molecular Weight | 276.1966 |
| SMILES | CCN1CCN(CC1)c1scc(n1)Br |
| Synonyms | 4-Bromo-2-(4-ethylpiperazino)thiazole,
1289002-93-2,
1-(4-BROMO-1,3-THIAZOL-2-YL)-4-ETHYLPIPERAZINE,
C9H14BrN3S,
ZINC86279272,
AKOS017952392,
Z9442,
K-4012,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.196g/mol |
| Monoisotopic Mass | 275.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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