| CAS Number | 959238-21-2 |
| Catalog Number | AG01CA52 |
| Chemical Name | 4-bromo-2-tert-butyl-1,3-thiazole |
| IUPAC Name | 4-bromo-2-tert-butyl-1,3-thiazole |
| InChI | InChI=1S/C7H10BrNS/c1-7(2,3)6-9-5(8)4-10-6/h4H,1-3H3 |
| InChI Key | MBCNEXNLPXCWIP-UHFFFAOYSA-N |
| MDL Number | MFCD09878992 |
| Molecular Formula | C7H10BrNS |
| Molecular Weight | 220.1300 |
| SMILES | CC(C1SC=C(Br)N=1)(C)C |
| Synonyms | 4-BROMO-2-(TERT-BUTYL)THIAZOLE,
959238-21-2,
AKOS015945411,
AB54165,
2-(TERT-BUTYL)-4-BROMOTHIAZOLE,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.128g/mol |
| Monoisotopic Mass | 218.972g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number