| CAS Number | 1154382-72-5 |
| Catalog Number | AG01B1SB |
| Chemical Name | 4-(6-chloropyridine-3-carbonyl)-1lambda6-thiomorpholine-1,1-dione |
| IUPAC Name | (6-chloropyridin-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone |
| InChI | InChI=1S/C10H11ClN2O3S/c11-9-2-1-8(7-12-9)10(14)13-3-5-17(15,16)6-4-13/h1-2,7H,3-6H2 |
| InChI Key | RYZWRHQMWPDZBT-UHFFFAOYSA-N |
| MDL Number | MFCD12438727 |
| Molecular Formula | C10H11ClN2O3S |
| Molecular Weight | 274.7239 |
| SMILES | ClC1=NC=C(C(N2CCS(=O)(=O)CC2)=O)C=C1 |
| Synonyms | 1154382-72-5,
4-(6-chloropyridine-3-carbonyl)-1lambda6-thiomorpholine-1,1-dione,
ZINC36162432,
AKOS005854560,
NE35393,
4-(6-chloropyridine-3-carbonyl)-1??,4-thiomorpholine-1,1-dione,
4-(6-chloropyridine-3-carbonyl)-1lambda-thiomorpholine-1,1-dione,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.719g/mol |
| Monoisotopic Mass | 274.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number