| CAS Number | 6576-08-5 |
| Catalog Number | AG01C3UC |
| Chemical Name | 2-(Pyridin-4-yl)-1-(thiophen-2-yl)ethan-1-one |
| IUPAC Name | 2-pyridin-4-yl-1-thiophen-2-ylethanone |
| InChI | InChI=1S/C11H9NOS/c13-10(11-2-1-7-14-11)8-9-3-5-12-6-4-9/h1-7H,8H2 |
| InChI Key | FCLIXCKZIJZCEL-UHFFFAOYSA-N |
| MDL Number | MFCD09039652 |
| Molecular Formula | C11H9NOS |
| Molecular Weight | 203.2603 |
| SMILES | O=C(C1SC=CC=1)CC1=CC=NC=C1 |
| Synonyms | 2-(pyridin-4-yl)-1-(thiophen-2-yl)ethan-1-one,
6576-08-5,
2-(4-Pyridylacetyl)thiophene,
SCHEMBL18437367,
ZINC13568793,
AKOS000804502,
MCULE-2192855804,
2-(4-PYRIDINYL)-1-(2-THIENYL)ETHANONE,
Z2353492941,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.259g/mol |
| Monoisotopic Mass | 203.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number