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7H-Purine-8-thiol - ≥95% , CAS No.583-40-4
Disponible para pedir
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
Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Enviado en
Normal
Pureza
≥95%
Nombres e identificadores
| Sonrisas canónicas | C1=C2C(=NC=N1)NC(=S)N2 |
|---|---|
| IUPAC Name | 7,9-dihydropurine-8-thione |
| InChIKey | VABISHCLVYMGAU-UHFFFAOYSA-N |
| INCHI | 1S/C5H4N4S/c10-5-8-3-1-6-2-7-4(3)9-5/h1-2H,(H2,6,7,8,9,10) |
| Isómeros SMILES | C1=C2C(=NC=N1)NC(=S)N2 |
| CAS alternativo | 583-40-4 |
| PubChem CID | 4265275 |
| Número NSC | 23721 |
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 Imidazopyrimidines
- Subclass Purines and purine derivatives
- Clase Imidazopyrimidines
- Superclass Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purinethiones |
| Alternative Parents | Pyrimidines and pyrimidine derivatives Imidazolethiones Imidazoles Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purinethione - Pyrimidine - Imidazole-2-thione - Heteroaromatic compound - Imidazole - Azole - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as purinethiones. These are purines in which the purine moiety bears a thioketone. |
| 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 | 152.180 g/mol |
|---|---|
| XLogP3 | -0.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 152.016 Da |
| Monoisotopic Mass | 152.016 Da |
| Topological Polar Surface Area | 81.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 160.000 |
| 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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