| CAS Number | 1803593-69-2 |
| Catalog Number | AG01A6SW |
| Chemical Name | 3-(pyridine-4-carbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine |
| IUPAC Name | (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-pyridin-4-ylmethanone |
| InChI | InChI=1S/C13H12N2OS/c14-13-11(9-2-1-3-10(9)17-13)12(16)8-4-6-15-7-5-8/h4-7H,1-3,14H2 |
| InChI Key | UFWQOIUSHXQVKK-UHFFFAOYSA-N |
| MDL Number | MFCD26935971 |
| Molecular Formula | C13H12N2OS |
| Molecular Weight | 244.3122 |
| SMILES | NC1=C(C(C2=CC=NC=C2)=O)C2=C(CCC2)S1 |
| Synonyms | 3-(pyridine-4-carbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine,
1803593-69-2,
ZINC95882077,
AKOS033563111,
NE17227,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.312g/mol |
| Monoisotopic Mass | 244.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number