2,5-Di(2-tienil)-1H-pirrol - ≥95% , CAS No.89814-62-0

CAS: 89814-62-0 Cat. No.: D155378 Peso molecular: 231.33 Número EC: 679-881-4

GRADE & PURITY ≥95%

Synonyms

D3876 | 2,5-dithiophen-2-yl-1H-pyrrole | 2,5-di(thiophen-2-yl)-1H-pyrrole | AKOS015856755 | MFCD03931087 | 2,5-DITHIENYLPYRROLE | 2,5-BIS(THIOPHEN-2-YL)-1H-PYRROLE | REHRCHHNCOTPBV-UHFFFAOYSA-N | 2,5,-di-(2-thienyl)-pyrrole | 2,5-DI(2-THIENYL)PYRROLE | 2,

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

D3876 | 2, 5-dithiophen-2-yl-1H-pyrrole | 2, 5-di(thiophen-2-yl)-1H-pyrrole | AKOS015856755 | MFCD03931087 | 2, 5-DITHIENYLPYRROLE | 2, 5-BIS(THIOPHEN-2-YL)-1H-PYRROLE | REHRCHHNCOTPBV-UHFFFAOYSA-N | 2, 5, -di-(2-thienyl)-pyrrole | 2, 5-DI(2-THIENYL)PYRROLE | 2,

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504762883
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762883
• Sonrisas canónicas: C1=CSC(=C1)C2=CC=C(N2)C3=CC=CS3
• IUPAC Name: 2,5-dithiophen-2-yl-1H-pyrrole
• InChIKey: REHRCHHNCOTPBV-UHFFFAOYSA-N
• INCHI: 1S/C12H9NS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H
• Isómeros SMILES: C1=CSC(=C1)C2=CC=C(N2)C3=CC=CS3
• Peso molecular: 231.33
• Reaxy-Rn: 5867363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5867363&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Thiophenes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Substituted pyrrole - Heteroaromatic compound - Thiophene - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• 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

Propiedades químicas y físicas

• Peso molecular: 231.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 231.018 Da
• Monoisotopic Mass: 231.018 Da
• Topological Polar Surface Area: 72.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 200.000
• 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