| CAS Number | 861966-15-6 |
| Catalog Number | AG01FFTQ(AGN-PC-0V2VTJ) |
| Chemical Name | ethyl 4-cyano-3-iodo-5-methylsulfonyl-thiophene-2-carboxylate |
| IUPAC Name | ethyl 4-cyano-3-iodo-5-methylsulfonylthiophene-2-carboxylate |
| InChI | InChI=1S/C9H8INO4S2/c1-3-15-8(12)7-6(10)5(4-11)9(16-7)17(2,13)14/h3H2,1-2H3 |
| InChI Key | UOLOHOIGJZKRBM-UHFFFAOYSA-N |
| MDL Number | MFCD12031267 |
| Molecular Formula | C9H8INO4S2 |
| Molecular Weight | 385.1986 |
| SMILES | |
| Synonyms | ethyl 4-cyano-3-iodo-5-(methylsulfonyl)thiophene-2-carboxylate,
861966-15-6,
SCHEMBL623756,
UOLOHOIGJZKRBM-UHFFFAOYSA-N,
ZINC32914939,
AKOS015919463,
ethyl 3-iodo-4-cyano-5-(methylsulfonyl)thiophene-2-carboxylate,
S09-0009,
|
| Complexity | 449 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 384.89395g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.2g/mol |
| Monoisotopic Mass | 384.89395g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 121Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number