| CAS Number | 1339527-11-5 |
| Catalog Number | AG019STV(AGN-PC-0WO1ML) |
| Chemical Name | 2-Chloro-4-(ethylsulfanyl)pyridine |
| IUPAC Name | 2-chloro-4-ethylsulfanylpyridine |
| InChI | InChI=1S/C7H8ClNS/c1-2-10-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3 |
| InChI Key | AIUVTUGAHRYKMX-UHFFFAOYSA-N |
| MDL Number | MFCD18378475 |
| Molecular Formula | C7H8ClNS |
| Molecular Weight | 173.6631 |
| SMILES | CCSC1=CC(Cl)=NC=C1 |
| Synonyms | 2-chloro-4-(ethylsulfanyl)pyridine,
1339527-11-5,
ZINC71790736,
AKOS013090304,
MCULE-1406409959,
NE19300,
EN300-94907,
Z1696844474,
|
| Complexity | 99.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.658g/mol |
| Monoisotopic Mass | 173.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number