| CAS Number | 4815-43-4 |
| Catalog Number | AG01F9DN(AGN-PC-0L3J9Y) |
| Chemical Name | Ethyl 2-Amino-4,5-diphenylthiophene-3-carboxylate |
| IUPAC Name | ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate |
| InChI | InChI=1S/C19H17NO2S/c1-2-22-19(21)16-15(13-9-5-3-6-10-13)17(23-18(16)20)14-11-7-4-8-12-14/h3-12H,2,20H2,1H3 |
| InChI Key | KZDXAPZNXDJJMB-UHFFFAOYSA-N |
| MDL Number | MFCD00688367 |
| Molecular Formula | C19H17NO2S |
| Molecular Weight | 323.4088 |
| SMILES | NC=1SC(=C(C1C(=O)OCC)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonyms | ethyl 2-amino-4,5-diphenylthiophene-3-carboxylate,
4815-43-4,
CHEMBL291935,
AC1N2G1O,
Oprea1_587100,
ZINC3064516,
BDBM50299476,
MFCD00688367,
AKOS026670593,
2-Amino-4,5-diphenyl-thiophene-3-carboxylic acid ethyl ester,
Ethyl 2-Amino-4,5-diphenylthiophene-3-carboxylate, 97%, AldrichCPR,
D0V2VU,
CID3997004,
Ethyl 2-amino-4,5-diphenyl-thiophene-3-carboxylate,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.41g/mol |
| Monoisotopic Mass | 323.098g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number