riamilovir - Moligand™ , CAS No.R613182

CAS: R613182 Cat. No.: R613182 PubChem CID: 3113817

GRAU & PUREZA Moligand™

Synonyms

7-methylsulfanyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one | F2HTG1MH2D | F81714 | Oprea1_193144 | Oprea1_478576 | Triazavirin | Riamilovir [INN] | RIAMILOVIR [WHO-DD] | UNII-F2HTG1MH2D | 4(1H)-one | 7-(Methylthio)-3-nitro(1,2,4)triazolo(5,1-C

Storage

Room temperature

Especificações

Sinónimos

7-methylsulfanyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one | F2HTG1MH2D | F81714 | Oprea1_193144 | Oprea1_478576 | Triazavirin | Riamilovir [INN] | RIAMILOVIR [WHO-DD] | UNII-F2HTG1MH2D | 4(1H)-one | 7-(Methylthio)-3-nitro(1,2,4)triazolo(5,1-C

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Nomes e identificadores

Sorrisos canónicos

CSc1nc2nnc(c(=O)n2[nH]1)[N+](=O)[O-]

IUPAC Name

7-methylsulfanyl-3-nitro-6H-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4-one

InChIKey

IDVQGNMSSHPZSJ-UHFFFAOYSA-N

INCHI

1S/C5H4N6O3S/c1-15-5-6-4-8-7-2(11(13)14)3(12)10(4)9-5/h1H3,(H,6,8,9)

SMILES isoméricas

CSC1=NC2=NN=C(C(=O)N2N1)[N+](=O)[O-]

PubChem CID

3113817

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Nitroaromatic compounds Alkylarylthioethers 1,2,4-triazines Imidolactams Triazoles Heteroaromatic compounds Lactams Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl thioether - Nitroaromatic compound - Alkylarylthioether - Triazine - Imidolactam - 1,2,4-triazine - Heteroaromatic compound - 1,2,4-triazole - Azole - C-nitro compound - Organic nitro compound - Lactam - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound
• Descrição: 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Alvos associados (humanos)

HEK-293T (167025 Activities)

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Alvos associados (não humanos)

Vesicular stomatitis virus (4460 Activities)

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MDCK (10148 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 228.190 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 228.007 Da
• Monoisotopic Mass: 228.007 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 435.000
• 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

Perguntas frequentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is R613182. InChIKey IDVQGNMSSHPZSJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.