≥95% 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 | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)N=C=S |
|---|---|
| IUPAC Name | 2-(4-isothiocyanatophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline |
| InChIKey | FBMNUNRKHMOXIA-UHFFFAOYSA-N |
| INCHI | 1S/C16H14N2O2S2/c19-22(20,16-7-5-15(6-8-16)17-12-21)18-10-9-13-3-1-2-4-14(13)11-18/h1-8H,9-11H2 |
| Isómeros SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)N=C=S |
| CAS alternativo | 956576-70-8 |
| PubChem CID | 25218989 |
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 | Tetrahydroisoquinolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrahydroisoquinolines |
| Alternative Parents | Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Sulfonyls Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Tetrahydroisoquinoline - Benzenesulfonyl group - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Isothiocyanate - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
| External Descriptors | Not available |
| Peso molecular | 330.400 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 330.05 Da |
| Monoisotopic Mass | 330.05 Da |
| Topological Polar Surface Area | 90.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 529.000 |
| 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 |
![2-[(4-Isothiocyanatophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline - ≥95% , CAS No.956576-70-8](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)