| CAS Number | 304018-03-9 |
| Catalog Number | AG01A55O(AGN-PC-0R5QTE) |
| Chemical Name | 3-(4-fluorobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine |
| IUPAC Name | (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-fluorophenyl)methanone |
| InChI | InChI=1S/C14H12FNOS/c15-9-6-4-8(5-7-9)13(17)12-10-2-1-3-11(10)18-14(12)16/h4-7H,1-3,16H2 |
| InChI Key | OGSMKDODPGCQDT-UHFFFAOYSA-N |
| MDL Number | MFCD11607091 |
| Molecular Formula | C14H12FNOS |
| Molecular Weight | 261.3146 |
| SMILES | NC1=C(C(C2=CC=C(F)C=C2)=O)C2=C(CCC2)S1 |
| Synonyms | 3-(4-fluorobenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine,
304018-03-9,
CHEMBL302195,
SCHEMBL4057532,
OGSMKDODPGCQDT-UHFFFAOYSA-N,
ZINC13558662,
NE34178,
2-Amino-3-(4-fluorobenzoyl)-5,6-dihydro-4H-cyclopenta[b]thiophene,
(2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-fluoro-phenyl)-methanone,
|
| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.314g/mol |
| Monoisotopic Mass | 261.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number