| CAS Number | 1027247-69-3 |
| Catalog Number | AG01DTFB |
| Chemical Name | 2-bromo-4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazole |
| IUPAC Name | 2-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole |
| InChI | InChI=1S/C8H10BrNS/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2 |
| InChI Key | NTZSXLNKZILSFZ-UHFFFAOYSA-N |
| MDL Number | MFCD22035212 |
| Molecular Formula | C8H10BrNS |
| Molecular Weight | 232.1407 |
| SMILES | BrC1SC2=C(CCCCC2)N=1 |
| Synonyms | ELLANOVALABS B2-0509,
SCHEMBL17028600,
AKOS022686500,
2-bromo-4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazole,
1027247-69-3,
CID9834551,
9-bromo-10-thia-8-azabicyclo[5.3.0]deca-8,11-diene,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.972g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.139g/mol |
| Monoisotopic Mass | 230.972g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number