![5-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-4H-1,2,4-triazole-3-thiol , CAS No.847503-28-0](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)
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5-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-4H-1,2,4-triazole-3-thiol , CAS No.847503-28-0
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 | CC1=C(C=CC(=C1)Cl)OCCCC2=NNC(=S)N2C |
|---|---|
| IUPAC Name | 3-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-1H-1,2,4-triazole-5-thione |
| InChIKey | QKPQQUNHODTMSM-UHFFFAOYSA-N |
| INCHI | 1S/C13H16ClN3OS/c1-9-8-10(14)5-6-11(9)18-7-3-4-12-15-16-13(19)17(12)2/h5-6,8H,3-4,7H2,1-2H3,(H,16,19) |
| Isómeros SMILES | CC1=C(C=CC(=C1)Cl)OCCCC2=NNC(=S)N2C |
| PubChem CID | 17310930 |
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
- Clase Phenol ethers
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Toluenes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Triazolines Triazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazoline - Heteroaromatic compound - Azole - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| 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 | 297.800 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 297.07 Da |
| Monoisotopic Mass | 297.07 Da |
| Topological Polar Surface Area | 69.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| 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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