| CAS Number | 1248974-11-9 |
| Catalog Number | AG01A492(AGN-PC-0WO9UE) |
| Chemical Name | 2-([(2-Chloropyridin-4-yl)methyl]sulfanyl)ethan-1-amine |
| IUPAC Name | 2-[(2-chloropyridin-4-yl)methylsulfanyl]ethanamine |
| InChI | InChI=1S/C8H11ClN2S/c9-8-5-7(1-3-11-8)6-12-4-2-10/h1,3,5H,2,4,6,10H2 |
| InChI Key | JPGXERNMCOEMQJ-UHFFFAOYSA-N |
| MDL Number | MFCD16764917 |
| Molecular Formula | C8H11ClN2S |
| Molecular Weight | 202.7043 |
| SMILES | NCCSCC1=CC(Cl)=NC=C1 |
| Synonyms | 2-{[(2-chloropyridin-4-yl)methyl]sulfanyl}ethan-1-amine,
1248974-11-9,
ZINC52709099,
AKOS011759215,
NE26768,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.7g/mol |
| Monoisotopic Mass | 202.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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