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Tetrahydro-5-(2-(4-morpholinyl)ethyl)-1,3,5-triazine-2(1H)-thione , CAS No.727664-36-0
Disponible para pedir
Storage
Room temperature
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Why this grade
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
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores
| Sonrisas canónicas | C1COCCN1CCN2CNC(=S)NC2 |
|---|---|
| IUPAC Name | 5-(2-morpholin-4-ylethyl)-1,3,5-triazinane-2-thione |
| InChIKey | SIMHLWZZLXUZDX-UHFFFAOYSA-N |
| INCHI | 1S/C9H18N4OS/c15-9-10-7-13(8-11-9)2-1-12-3-5-14-6-4-12/h1-8H2,(H2,10,11,15) |
| Isómeros SMILES | C1COCCN1CCN2CNC(=S)NC2 |
| CAS alternativo | 727664-36-0 |
| PubChem CID | 1510319 |
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 Oxazinanes
- Subclass Morpholines
- Clase Oxazinanes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Oxazinanes |
| Subclass | Morpholines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Morpholines |
| Alternative Parents | 1,3,5-triazinanes Trialkylamines Thioureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | 1,3,5-triazinane - Morpholine - Triazinane - Tertiary amine - Thiourea - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as morpholines. These are organic compounds containing a morpholine moiety, which consists of a six-member aliphatic saturated ring with the formula C4H9NO, where the oxygen and nitrogen atoms lie at positions 1 and 4, respectively. |
| 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 | 230.330 g/mol |
|---|---|
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 230.12 Da |
| Monoisotopic Mass | 230.12 Da |
| Topological Polar Surface Area | 71.900 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 210.000 |
| 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 |
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