| CAS Number | 338422-70-1 |
| Catalog Number | AG00IP2Y(AGN-PC-0WATOF) |
| Chemical Name | Ethyl 2-{[3-chloro-5-(trifluoromethyl)-2- pyridinyl]sulfanyl}acetate |
| IUPAC Name | ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetate |
| InChI | InChI=1S/C10H9ClF3NO2S/c1-2-17-8(16)5-18-9-7(11)3-6(4-15-9)10(12,13)14/h3-4H,2,5H2,1H3 |
| InChI Key | UDKFFMRSQQNXBU-UHFFFAOYSA-N |
| MDL Number | MFCD00664270 |
| Molecular Formula | C10H9ClF3NO2S |
| Molecular Weight | 299.6972 |
| SMILES | ClC1(=C(SCC(=O)OCC)N=CC(=C1)C(F)(F)F) |
| Synonyms | 338422-70-1,
ETHYL 2-{[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL}ACETATE,
ethyl 2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetate,
AC1MCOAV,
Bionet2_000982,
CTK6F9152,
KS-00001WHE,
HMS1366M14,
ZINC169094,
MFCD00664270,
SBB054297,
AKOS005090074,
MCULE-6811695633,
4J-004,
ethyl 2-[3-chloro-5-(trifluoromethyl)-2-pyridylthio]acetate,
ethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylacetate,
ZINC00169094,
CID2774344,
Ethyl [3-Chloro-5-(trifluoromethyl)pyridin-2-yl]thio}acetate,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.692g/mol |
| Monoisotopic Mass | 298.999g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number