| CAS Number | 1486368-72-2 |
| Catalog Number | AG01B1SI |
| Chemical Name | 1-(2-amino-5-phenylthiophen-3-yl)ethan-1-one |
| IUPAC Name | 1-(2-amino-5-phenylthiophen-3-yl)ethanone |
| InChI | InChI=1S/C12H11NOS/c1-8(14)10-7-11(15-12(10)13)9-5-3-2-4-6-9/h2-7H,13H2,1H3 |
| InChI Key | OLDJOSRXCZELIA-UHFFFAOYSA-N |
| MDL Number | MFCD21221299 |
| Molecular Formula | C12H11NOS |
| Molecular Weight | 217.2868 |
| SMILES | CC(C1=C(N)SC(C2=CC=CC=C2)=C1)=O |
| Synonyms | 1-(2-amino-5-phenylthiophen-3-yl)ethan-1-one,
1486368-72-2,
SCHEMBL15960089,
ZINC75464130,
AKOS014690443,
MCULE-7353389041,
NE16724,
Z1863617817,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.286g/mol |
| Monoisotopic Mass | 217.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number