for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC1=C(N=C(O1)C2=CC=CS2)CCOC3=C4C=CSC4=C(C=C3)CC5C(=O)NC(=O)S5 |
|---|---|
| IUPAC Name | 5-[[4-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione |
| InChIKey | MZRQLASUMBMPRS-UHFFFAOYSA-N |
| INCHI | 1S/C22H18N2O4S3/c1-12-15(23-21(28-12)17-3-2-9-29-17)6-8-27-16-5-4-13(19-14(16)7-10-30-19)11-18-20(25)24-22(26)31-18/h2-5,7,9-10,18H,6,8,11H2,1H3,(H,24,25,26) |
| Isomeric SMILES | CC1=C(N=C(O1)C2=CC=CS2)CCOC3=C4C=CSC4=C(C=C3)CC5C(=O)NC(=O)S5 |
| Alternate CAS | 213411-84-8 |
| PubChem CID | 9912581 |
| MeSH Entry Terms | BM 15.2054;BM-15.2054;BM15.2054 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Benzothiophenes |
| Subclass | 1-benzothiophenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzothiophenes |
| Alternative Parents | Phenol ethers 2,4,5-trisubstituted oxazoles Thiazolidinediones Alkyl aryl ethers Thiophenes Heteroaromatic compounds Dicarboximides Thiocarbamic acid derivatives Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzothiophene - 2,4,5-trisubstituted 1,3-oxazole - Phenol ether - Alkyl aryl ether - Thiazolidinedione - Benzenoid - Azole - Dicarboximide - Oxazole - Thiazolidine - Thiophene - Heteroaromatic compound - Thiocarbamic acid derivative - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system. |
| External Descriptors | Not available |
| Molecular Weight | 470.600 g/mol |
|---|---|
| XLogP3 | 5.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 470.043 Da |
| Monoisotopic Mass | 470.043 Da |
| Topological Polar Surface Area | 163.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 683.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![5-[[4-[2-(5-Methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]methyl]-1,3-thiazolidine-2,4-dione , CAS No.213411-84-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)