| CAS Number | 129761-30-4 |
| Catalog Number | AG01BTC7(AGN-PC-002NN3) |
| Chemical Name | 2-amino-1-(1-benzothiophen-2-yl)ethan-1-one hydrochloride |
| IUPAC Name | 2-amino-1-(1-benzothiophen-2-yl)ethanone;hydrochloride |
| InChI | InChI=1S/C10H9NOS.ClH/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10;/h1-5H,6,11H2;1H |
| InChI Key | LSORCUCIFQEXQK-UHFFFAOYSA-N |
| MDL Number | MFCD30539689 |
| Molecular Formula | C10H10ClNOS |
| Molecular Weight | 227.7105 |
| SMILES | Cl.NCC(C1SC2=C(C=CC=C2)C=1)=O |
| Synonyms | 2-amino-1-(1-benzothiophen-2-yl)ethan-1-one hydrochloride,
129761-30-4,
SCHEMBL4918686,
LSORCUCIFQEXQK-UHFFFAOYSA-N,
2-amino-1-benzo[b]thiophen-2-yl-ethanone HCl salt,
Z2752201095,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.706g/mol |
| Monoisotopic Mass | 227.017g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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