| CAS Number | 1154226-88-6 |
| Catalog Number | AG01AAYU(AGN-PC-0WO10C) |
| Chemical Name | 6-bromo-3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine |
| IUPAC Name | 6-bromo-3-methyl-3,4-dihydro-2H-thiochromen-4-amine |
| InChI | InChI=1S/C10H12BrNS/c1-6-5-13-9-3-2-7(11)4-8(9)10(6)12/h2-4,6,10H,5,12H2,1H3 |
| InChI Key | ZHBGUCITSZSMQV-UHFFFAOYSA-N |
| MDL Number | MFCD12132510 |
| Molecular Formula | C10H12BrNS |
| Molecular Weight | 258.1780 |
| SMILES | CC1C(N)C2=C(C=CC(=C2)Br)SC1 |
| Synonyms | 6-bromo-3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine,
1154226-88-6,
AC1Q2RHC,
AKOS008135402,
MCULE-3308520165,
NE48337,
EN300-69956,
6-bromo-3-methyl-3,4-dihydro-2H-1-benzothiopyran-4-amine, Mixture of diastereomers,
|
| Complexity | 188 |
| 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 | 0 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number