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Sbb040972 - ≥95% , CAS No.302804-66-6
DISPONIBLE À COMMANDE
GRADE & PURITY ≥95%
Storage
Room temperature
Shipped In
Normal
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Why this grade
≥95% 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
Spécifications et pureté
≥95%
Conditions de stockage de stockage
Room temperature
Expédié en
Normal
Pureté
≥95%
Noms et identifiants
| Sourires canoniques | CC1=CC=C(C=C1)CSC2=NC=NN2 |
|---|---|
| IUPAC Name | 5-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole |
| InChIKey | HOZZBLHTOQAIBU-UHFFFAOYSA-N |
| INCHI | 1S/C10H11N3S/c1-8-2-4-9(5-3-8)6-14-10-11-7-12-13-10/h2-5,7H,6H2,1H3,(H,11,12,13) |
| Poids moléculaire | 205.28 |
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 Organosulfur compounds
- Classe Thioethers
- Subclass Aryl thioethers
- Classe Thioethers
- Superclass Organosulfur compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Classe | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Toluenes Alkylarylthioethers Triazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Toluene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
Structure 3D
Modèle de structure chimique interactif
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
| Poids moléculaire | 205.280 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 205.067 Da |
| Monoisotopic Mass | 205.067 Da |
| Topological Polar Surface Area | 66.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 169.000 |
| 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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