≥90% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)N4CCN(CC4)CCO |
|---|---|
| IUPAC Name | [4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylthieno[2,3-b]indol-2-yl)methanone |
| InChIKey | VSFDMARLKYYWMU-UHFFFAOYSA-N |
| INCHI | 1S/C18H21N3O2S/c1-19-15-5-3-2-4-13(15)14-12-16(24-18(14)19)17(23)21-8-6-20(7-9-21)10-11-22/h2-5,12,22H,6-11H2,1H3 |
| Isomeric SMILES | CN1C2=CC=CC=C2C3=C1SC(=C3)C(=O)N4CCN(CC4)CCO |
| PubChem CID | 2768329 |
| Molecular Weight | 343.45 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Indoles and derivatives |
| Subclass | N-alkylindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-alkylindoles |
| Alternative Parents | Indoles Thiophene carboxamides Thienopyrroles 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides N-alkylpiperazines N-methylpyrroles Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Azoles Trialkylamines 1,2-aminoalcohols Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | N-alkylindole - Indole - 2-heteroaryl carboxamide - Thienopyrrole - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - N-alkylpiperazine - 1,4-diazinane - N-methylpyrrole - Piperazine - Substituted pyrrole - Benzenoid - Thiophene - Heteroaromatic compound - Azole - Pyrrole - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - 1,2-aminoalcohol - Tertiary amine - Carboxylic acid derivative - Alkanolamine - Azacycle - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position. |
| External Descriptors | Not available |
| Molecular Weight | 343.400 g/mol |
|---|---|
| XLogP3 | 2.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 343.135 Da |
| Monoisotopic Mass | 343.135 Da |
| Topological Polar Surface Area | 77.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 469.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
methanone - ≥90% , CAS No.860650-50-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)