| CAS Number | 1156875-83-0 |
| Catalog Number | AG019YVZ(AGN-PC-0WO5YJ) |
| Chemical Name | Ethyl 2-[(6-chloropyrazin-2-yl)sulfanyl]acetate |
| IUPAC Name | ethyl 2-(6-chloropyrazin-2-yl)sulfanylacetate |
| InChI | InChI=1S/C8H9ClN2O2S/c1-2-13-8(12)5-14-7-4-10-3-6(9)11-7/h3-4H,2,5H2,1H3 |
| InChI Key | PRVDRIWPSVIQIP-UHFFFAOYSA-N |
| MDL Number | MFCD12092521 |
| Molecular Formula | C8H9ClN2O2S |
| Molecular Weight | 232.6873 |
| SMILES | CCOC(CSC1=NC(Cl)=CN=C1)=O |
| Synonyms | ethyl 2-[(6-chloropyrazin-2-yl)sulfanyl]acetate,
1156875-83-0,
ZINC36337238,
AKOS009811588,
NE15399,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.007326g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.69g/mol |
| Monoisotopic Mass | 232.007326g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 77.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number