| CAS Number | 883857-57-6 |
| Catalog Number | AG01BG41(AGN-PC-00B8VU) |
| Chemical Name | Ethyl 2-((ethoxycarbonothioyl)thio)-2-fluoroacetate |
| IUPAC Name | ethyl 2-ethoxycarbothioylsulfanyl-2-fluoroacetate |
| InChI | InChI=1S/C7H11FO3S2/c1-3-10-6(9)5(8)13-7(12)11-4-2/h5H,3-4H2,1-2H3 |
| InChI Key | BORPAFBPTFAEQP-UHFFFAOYSA-N |
| MDL Number | MFCD28125043 |
| Molecular Formula | C7H11FO3S2 |
| Molecular Weight | 226.2888 |
| SMILES | O=C(OCC)C(SC(OCC)=S)F |
| Synonyms | ethyl 2-[(ethoxymethanethioyl)sulfanyl]-2-fluoroacetate,
883857-57-6,
CID11543141,
Ethyl 2-ethoxycarbothioylsulfanyl-2-fluoro-acetate,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.28g/mol |
| Monoisotopic Mass | 226.013g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 92.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number