| CAS Number | 1301265-13-3 |
| Catalog Number | AG01B3Y9 |
| Chemical Name | N,N-diethyl-1-benzothiophene-2-carboxamide |
| IUPAC Name | N,N-diethyl-1-benzothiophene-2-carboxamide |
| InChI | InChI=1S/C13H15NOS/c1-3-14(4-2)13(15)12-9-10-7-5-6-8-11(10)16-12/h5-9H,3-4H2,1-2H3 |
| InChI Key | AAODISUJPXZLEE-UHFFFAOYSA-N |
| MDL Number | MFCD20043641 |
| Molecular Formula | C13H15NOS |
| Molecular Weight | 233.3293 |
| SMILES | CCN(C(C1SC2=C(C=CC=C2)C=1)=O)CC |
| Synonyms | N,N-diethyl-1-benzothiophene-2-carboxamide,
1301265-13-3,
ZINC60866514,
AKOS008997175,
Z135439430,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.329g/mol |
| Monoisotopic Mass | 233.087g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number