| CAS Number | 127800-66-2 |
| Catalog Number | AG00HRPZ(AGN-PC-02KNF4) |
| Chemical Name | 5-Bromo-2-(ethylthio)pyridine |
| IUPAC Name | 5-bromo-2-ethylsulfanylpyridine |
| InChI | InChI=1S/C7H8BrNS/c1-2-10-7-4-3-6(8)5-9-7/h3-5H,2H2,1H3 |
| InChI Key | LOZFITIIRWTYPM-UHFFFAOYSA-N |
| MDL Number | MFCD14650168 |
| Molecular Formula | C7H8BrNS |
| Molecular Weight | 218.1141 |
| SMILES | c1(cnc(cc1)SCC)Br |
| Synonyms | 5-Bromo-2-(ethylthio)pyridine,
127800-66-2,
5-bromo-2-(ethylsulfanyl)pyridine,
Pyridine, 5-bromo-2-(ethylthio)-,
SCHEMBL2653607,
5-Bromo-2-ethylsulfanyl-pyridine,
LOZFITIIRWTYPM-UHFFFAOYSA-N,
ZINC42351437,
AKOS010298585,
MCULE-4614112086,
5-Bromo-2-(ethylthio)pyridine, AldrichCPR,
Z742922262,
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| Complexity | 99.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.112g/mol |
| Monoisotopic Mass | 216.956g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number