![2-[Amino(benzylsulfanyl)methylidene]propanedinitrile , CAS No.109228-98-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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2-[Amino(benzylsulfanyl)methylidene]propanedinitrile , CAS No.109228-98-0
Disponible para pedir
Storage
Room temperature
Shipped In
Normal
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal 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
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Nombres e identificadores
| Sonrisas canónicas | C1=CC=C(C=C1)CSC(=C(C#N)C#N)N |
|---|---|
| IUPAC Name | 2-[amino(benzylsulfanyl)methylidene]propanedinitrile |
| InChIKey | NBHISXYZFMVUNF-UHFFFAOYSA-N |
| INCHI | 1S/C11H9N3S/c12-6-10(7-13)11(14)15-8-9-4-2-1-3-5-9/h1-5H,8,14H2 |
| Isómeros SMILES | C1=CC=C(C=C1)CSC(=C(C#N)C#N)N |
| PubChem CID | 1482441 |
| Peso molecular | 215.28 |
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 Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzene and substituted derivatives |
| Alternative Parents | Ketene acetals Sulfenyl compounds Nitriles Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Monocyclic benzene moiety - Ketene acetal or derivatives - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. |
| 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 | 215.280 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 215.052 Da |
| Monoisotopic Mass | 215.052 Da |
| Topological Polar Surface Area | 98.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 317.000 |
| 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 |
Calculadoras de soluciones
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