nifurzide - Moligand™ , CAS No.39978-42-2

CAS: 39978-42-2 Cat. No.: N612299 PubChem CID: 9571044

GRADE & PURITY Moligand™

Synonyms

5-Nitro-2-thiophenecarboxylic acid (3-(5-nitro-2-furanyl)-2-propenylidine)hydrazide | 5-Nitro-N'-(3-(5-nitro-2-furyl)allyliden)-2-thiophencarbohydrazid | Nifurzide | UNII-Z35R6K4C26 | BRN 1331076 | Ricridene | Ricridene (TN) | SCHEMBL467247 | NIFURZIDE [W

Storage

Room temperature

Specifications

Sinonimi

5-Nitro-2-thiophenecarboxylic acid (3-(5-nitro-2-furanyl)-2-propenylidine)hydrazide | 5-Nitro-N'-(3-(5-nitro-2-furyl)allyliden)-2-thiophencarbohydrazid | Nifurzide | UNII-Z35R6K4C26 | BRN 1331076 | Ricridene | Ricridene (TN) | SCHEMBL467247 | NIFURZIDE [W

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Nomi e identificatori

• Sorrisi canonici: c1c(oc(c1)[N+](=O)[O-])/C=C/C=N/NC(=O)c1ccc(s1)[N+](=O)[O-]
• IUPAC Name: 5-nitro-N-[[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
• InChIKey: IDUMOVRJNBNOTR-BIZLIJPVSA-N
• INCHI: 1S/C12H8N4O6S/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)/b2-1+,13-7+
• Isomeri SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=N/NC(=O)C2=CC=C(S2)[N+](=O)[O-]
• PubChem CID: 9571044

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thiophenes
      • Subclass Nitrothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thiophenes
• Subclass: Nitrothiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-nitrothiophenes
• Alternative Parents: Thiophene carboxamides Nitrofurans Nitroaromatic compounds 2,5-disubstituted thiophenes Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-nitrothiophene - Nitroaromatic compound - 2-nitrofuran - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 2-nitrothiophenes. These are aromatic heterocyclic compound containing a nitro group attached to a thiophene ring a the 2-position.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 336.280 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 336.016 Da
• Monoisotopic Mass: 336.016 Da
• Topological Polar Surface Area: 174.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 529.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1

Domande frequenti

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 39978-42-2. InChIKey IDUMOVRJNBNOTR-BIZLIJPVSA-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.