2-[(2-Nitrophenyl)Thio]Ethanohydrazide - ≥95% , CAS No.4871-40-3

CAS: 4871-40-3 Cat. No.: B301260 Fórmula: C₈H₉N₃O₃S Peso molecular: 227.24 Número CE: 880-506-3

GRADE & PURITY ≥95%

Synonyms

MFCD00277062 | CCG-55751 | 2-(2-Nitrophenylthio)acetohydrazide | HY-116872 | SR-01000644760-1 | AKOS002665606 | Maybridge1_003460 | STL490572 | 2-((2-Nitrophenyl)thio)acetohydrazide | HMS551F06 | 2-(2-nitrophenyl)sulfanylacetohydrazide | AS-82027 | AKOS04

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00277062 | CCG-55751 | 2-(2-Nitrophenylthio)acetohydrazide | HY-116872 | SR-01000644760-1 | AKOS002665606 | Maybridge1_003460 | STL490572 | 2-((2-Nitrophenyl)thio)acetohydrazide | HMS551F06 | 2-(2-nitrophenyl)sulfanylacetohydrazide | AS-82027 | AKOS04

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488194068

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194068

Sorrisos canónicos

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)NN

IUPAC Name

2-(2-nitrophenyl)sulfanylacetohydrazide

InChIKey

CZXFCCXLFQCYBK-UHFFFAOYSA-N

INCHI

1S/C8H9N3O3S/c9-10-8(12)5-15-7-4-2-1-3-6(7)11(13)14/h1-4H,5,9H2,(H,10,12)

SMILES isoméricas

C1=CC=C(C(=C1)[N+](=O)[O-])SCC(=O)NN

Peso molecular

227.24

Reaxy-Rn

2563934

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2563934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Carboxylic acid hydrazides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - Carboxylic acid hydrazide - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Carbonyl group - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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 (não humanos)

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 227.240 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 227.036 Da
• Monoisotopic Mass: 227.036 Da
• Topological Polar Surface Area: 126.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 244.000
• 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 the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 4871-40-3, the molecular formula is C8H9N3O3S, and the molecular weight is 227.24 g/mol. InChIKey CZXFCCXLFQCYBK-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.