| CAS Number | 109209-87-2 |
| Catalog Number | AG01ALP9(AGN-PC-02IPA3) |
| Chemical Name | 6-bromo-3,4-dihydro-2H-1-benzothiopyran |
| IUPAC Name | 6-bromo-3,4-dihydro-2H-thiochromene |
| InChI | InChI=1S/C9H9BrS/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2 |
| InChI Key | IVHBQBNIGBXJKX-UHFFFAOYSA-N |
| MDL Number | MFCD22035461 |
| Molecular Formula | C9H9BrS |
| Molecular Weight | 229.1368 |
| SMILES | BrC1=CC2=C(SCCC2)C=C1 |
| Synonyms | 6-bromo-3,4-dihydro-2H-1-benzothiopyran,
109209-87-2,
6-Bromo-thiochromane,
SCHEMBL5198318,
IVHBQBNIGBXJKX-UHFFFAOYSA-N,
ZINC82349561,
AKOS022687177,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.135g/mol |
| Monoisotopic Mass | 227.961g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number