| CAS Number | 1156177-19-3 |
| Catalog Number | AG01AAQW(AGN-PC-0WO9Y6) |
| Chemical Name | 6-bromo-N-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine |
| IUPAC Name | 6-bromo-N-methyl-3,4-dihydro-2H-thiochromen-4-amine |
| InChI | InChI=1S/C10H12BrNS/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12H,4-5H2,1H3 |
| InChI Key | ADMWZOCUPSQHDJ-UHFFFAOYSA-N |
| MDL Number | MFCD12133498 |
| Molecular Formula | C10H12BrNS |
| Molecular Weight | 258.1780 |
| SMILES | CNC1C2=C(C=CC(=C2)Br)SCC1 |
| Synonyms | 6-bromo-N-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine,
1156177-19-3,
AC1Q411I,
AKOS008135405,
MCULE-2463288014,
NE42757,
EN300-69332,
Z1263811683,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.177g/mol |
| Monoisotopic Mass | 256.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number