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2-amino-7-methyl-9H-thioxanthen-9-one , CAS No.78160-12-0
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=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)N |
|---|---|
| IUPAC Name | 2-amino-7-methylthioxanthen-9-one |
| InChIKey | VVQULFWWOHEBQC-UHFFFAOYSA-N |
| INCHI | 1S/C14H11NOS/c1-8-2-4-12-10(6-8)14(16)11-7-9(15)3-5-13(11)17-12/h2-7H,15H2,1H3 |
| Isómeros SMILES | CC1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)N |
| PubChem CID | 337138 |
| Peso molecular | 241.31 |
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 Thiochromenes
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thiochromenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiochromenes |
| Alternative Parents | 1-benzothiopyrans Benzenoids Heteroaromatic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thiochromene - 1-benzothiopyran - Benzothiopyran - Benzenoid - Heteroaromatic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thiochromenes. These are organosulfur compounds that are analogues to chromene, with the difference that a sulfur atom replaces the oxygen atom. |
| 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
| Punto de fusión (°C) | 179-183° |
|---|---|
| Peso molecular | 241.310 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 241.056 Da |
| Monoisotopic Mass | 241.056 Da |
| Topological Polar Surface Area | 68.400 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 319.000 |
| 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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