≥97% 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.
| Sonrisas canónicas | COC1=CC2=C(C=C1)NC(=C2)C=C(C#N)S(=O)(=O)C |
|---|---|
| IUPAC Name | (E)-3-(5-methoxy-1H-indol-2-yl)-2-methylsulfonylprop-2-enenitrile |
| InChIKey | HIJQBHFXHYJFFM-KPKJPENVSA-N |
| INCHI | 1S/C13H12N2O3S/c1-18-11-3-4-13-9(6-11)5-10(15-13)7-12(8-14)19(2,16)17/h3-7,15H,1-2H3/b12-7+ |
| Isómeros SMILES | COC1=CC2=C(C=C1)NC(=C2)/C=C(\C#N)/S(=O)(=O)C |
| PubChem CID | 16413196 |
| Peso molecular | 276.32 |
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 |
| Clase | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indoles |
| Alternative Parents | Anisoles Alkyl aryl ethers Substituted pyrroles Sulfones Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indole - Anisole - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Pyrrole - Sulfone - Sulfonyl - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Ether - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. |
| External Descriptors | Not available |
| Peso molecular | 276.310 g/mol |
|---|---|
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 276.057 Da |
| Monoisotopic Mass | 276.057 Da |
| Topological Polar Surface Area | 91.300 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 512.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
