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4-Aminoisothiochroman 2，2-dioxide hydrochloride - ≥95% , CAS No.1187830-61-0
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
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Why this grade
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
| Sonrisas canónicas | C1C(C2=CC=CC=C2CS1(=O)=O)N.Cl |
|---|---|
| IUPAC Name | 2,2-dioxo-3,4-dihydro-1H-isothiochromen-4-amine;hydrochloride |
| InChIKey | JPSRQJVVIKWEKQ-UHFFFAOYSA-N |
| INCHI | 1S/C9H11NO2S.ClH/c10-9-6-13(11,12)5-7-3-1-2-4-8(7)9;/h1-4,9H,5-6,10H2;1H |
| Isómeros SMILES | C1C(C2=CC=CC=C2CS1(=O)=O)N.Cl |
| PubChem CID | 45789657 |
| Peso molecular | 233.71 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
- Clase Isothiochromanes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Isothiochromanes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isothiochromanes |
| Alternative Parents | 2-benzothiopyrans Aralkylamines Benzenoids Sulfones Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isothiochromane - Benzothiopyran - 2-benzothiopyran - Aralkylamine - Benzenoid - Sulfone - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Amine - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isothiochromanes. These are organic heterocyclic compounds containing an isothiochromane moiety. |
| External Descriptors | Not available |
Estructura 3D
Modelo de Estructura Química Interactiva
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
| Peso molecular | 233.720 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 233.028 Da |
| Monoisotopic Mass | 233.028 Da |
| Topological Polar Surface Area | 68.500 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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 | 2 |
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