| CAS Number | 914482-26-1 |
| Catalog Number | AG01E2S9(AGN-PC-0OMO5G) |
| Chemical Name | 3-(ethylsulfanyl)-1,2-dihydropyridin-2-one |
| IUPAC Name | 3-ethylsulfanyl-1H-pyridin-2-one |
| InChI | InChI=1S/C7H9NOS/c1-2-10-6-4-3-5-8-7(6)9/h3-5H,2H2,1H3,(H,8,9) |
| InChI Key | XDLYBXIAVDXHAO-UHFFFAOYSA-N |
| MDL Number | MFCD24603537 |
| Molecular Formula | C7H9NOS |
| Molecular Weight | 155.2175 |
| SMILES | CCSC1C(=O)NC=CC=1 |
| Synonyms | 914482-26-1,
3-(ethylsulfanyl)-1,2-dihydropyridin-2-one,
2(1H)-Pyridinone, 3-(ethylthio)-,
AKOS034132652,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.215g/mol |
| Monoisotopic Mass | 155.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number