| CAS Number | 438622-20-9 |
| Catalog Number | AG00DK58(AGN-PC-0WR27S) |
| Chemical Name | 7-Bromo-1H-pyrido[2,3-b][1,4]thiazin-2-one |
| IUPAC Name | 7-bromo-1H-pyrido[2,3-b][1,4]thiazin-2-one |
| InChI | InChI=1S/C7H5BrN2OS/c8-4-1-5-7(9-2-4)12-3-6(11)10-5/h1-2H,3H2,(H,10,11) |
| InChI Key | DCCDHDKETKOVBR-UHFFFAOYSA-N |
| MDL Number | MFCD02930636 |
| Molecular Formula | C7H5BrN2OS |
| Molecular Weight | 245.0964 |
| SMILES | BrC1=CC2=C(SCC(N2)=O)N=C1 |
| Synonyms | 438622-20-9,
7-Bromo-1H-pyrido[2,3-b][1,4]thiazin-2-one,
7-Bromo-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one,
1H-Pyrido[2,3-b][1,4]thiazin-2(3H)-one, 7-bromo-,
AKOS027427597,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.931g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.094g/mol |
| Monoisotopic Mass | 243.931g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 67.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number