Stk198445 , CAS No.56656-64-5

CAS: 56656-64-5 Cat. No.: S957145 Formule: C₁₄H₈N₂OS Poids moléculaire: 252.290

Storage

Room temperature

Specifications

Conditions de stockage de stockage

Room temperature

Noms et identifiants

Sourires canoniques

C1=CC=C(C=C1)SC2=CC=C(O2)C=C(C#N)C#N

IUPAC Name

2-[(5-phenylsulfanylfuran-2-yl)methylidene]propanedinitrile

InChIKey

FQRLBFXWYGCFKO-UHFFFAOYSA-N

INCHI

1S/C14H8N2OS/c15-9-11(10-16)8-12-6-7-14(17-12)18-13-4-2-1-3-5-13/h1-8H

Poids moléculaire

252.290

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: Diarylthioethers
• Alternative Parents: Thiophenol ethers Benzene and substituted derivatives Heteroaromatic compounds Furans Sulfenyl compounds Oxacyclic compounds Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diarylthioether - Thiophenol ether - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Organoheterocyclic compound - Sulfenyl compound - Nitrile - Carbonitrile - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 252.290 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 252.036 Da
• Monoisotopic Mass: 252.036 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 390.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

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

The CAS Number is 56656-64-5, the molecular formula is C14H8N2OS, and the molecular weight is 252.290 g/mol. InChIKey FQRLBFXWYGCFKO-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.