| CAS Number | 1935987-70-4 |
| Catalog Number | AG01C49H |
| Chemical Name | 3-(2-Bromoethyl)-1,2-benzothiazole |
| IUPAC Name | 3-(2-bromoethyl)-1,2-benzothiazole |
| InChI | InChI=1S/C9H8BrNS/c10-6-5-8-7-3-1-2-4-9(7)12-11-8/h1-4H,5-6H2 |
| InChI Key | SNDWYLIKMOUFFZ-UHFFFAOYSA-N |
| MDL Number | MFCD29991304 |
| Molecular Formula | C9H8BrNS |
| Molecular Weight | 242.1355 |
| SMILES | BrCCC1=NSC2=C1C=CC=C2 |
| Synonyms | 3-(2-bromoethyl)-1,2-benzothiazole,
1935987-70-4,
ZINC307547123,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.134g/mol |
| Monoisotopic Mass | 240.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number