| CAS Number | 223556-42-1 |
| Catalog Number | AG00BDWF(AGN-PC-01LQTG) |
| Chemical Name | 4-(5-Bromo-pyridin-2-yl)-thiomorpholine |
| IUPAC Name | 4-(5-bromopyridin-2-yl)thiomorpholine |
| InChI | InChI=1S/C9H11BrN2S/c10-8-1-2-9(11-7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2 |
| InChI Key | URPFCSWQQQCFIR-UHFFFAOYSA-N |
| MDL Number | MFCD06657749 |
| Molecular Formula | C9H11BrN2S |
| Molecular Weight | 259.1660 |
| SMILES | BrC1=CN=C(N2CCSCC2)C=C1 |
| Synonyms | 4-(5-bromopyridin-2-yl)thiomorpholine,
223556-42-1,
4-(5-Bromo-pyridin-2-yl)-thiomorpholine,
SCHEMBL4771151,
CTK4E9264,
DTXSID70590120,
URPFCSWQQQCFIR-UHFFFAOYSA-N,
ZINC15042450,
AKOS010633511,
FS010891,
Thiomorpholine,4-(5-bromo-2-pyridinyl)-,
I14-15887,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.165g/mol |
| Monoisotopic Mass | 257.983g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number