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Cyanthoate , CAS No.3734-95-0
Disponible para pedir
Storage
Room temperature
Shipped In
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships FedEx DG Service 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
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Nombres e identificadores
| Sonrisas canónicas | CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N |
|---|---|
| IUPAC Name | N-(2-cyanopropan-2-yl)-2-diethoxyphosphorylsulfanylacetamide |
| InChIKey | TWDJIKFUVRYBJF-UHFFFAOYSA-N |
| INCHI | 1S/C10H19N2O4PS/c1-5-15-17(14,16-6-2)18-7-9(13)12-10(3,4)8-11/h5-7H2,1-4H3,(H,12,13) |
| Isómeros SMILES | CCOP(=O)(OCC)SCC(=O)NC(C)(C)C#N |
| CAS alternativo | 3734-95-0 |
| PubChem CID | 77322 |
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 Organophosphorus compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organophosphorus compounds |
| Clase | Organothiophosphorus compounds |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organothiophosphorus compounds |
| Alternative Parents | Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidic acids Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carboximidic acid - Carboximidic acid derivative - Carbonitrile - Nitrile - Organothiophosphorus compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as organothiophosphorus compounds. These are organic derivatives of thiophosphonic acid, thiophosphoric acid, dithiophosphoric acid, or phosphorotrithioic acid, or derivatives thereof. Thiophosphonic acid, dithiophosphoric acid, thiophosphoric acid, and phosphorotrithioic acid are thiophosphorus compounds with the formula OP(O)(=S), OP(S)(=S)O, OP(O)(=S)O, and OP(=S)(S)S, respectively. |
| External Descriptors | Organophosphorus insecticides |
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 | 294.310 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 294.08 Da |
| Monoisotopic Mass | 294.08 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 367.000 |
| 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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