4H-thieno[3,2-b]pyrrole-5-carbohydrazide - ≥95% , CAS No.119448-43-0

CAS: 119448-43-0 Cat. No.: H1355322 PubChem CID: 771429

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CSC2=C1NC(=C2)C(=O)NN
• IUPAC Name: 4H-thieno[3,2-b]pyrrole-5-carbohydrazide
• InChIKey: LZERMXJDKQVOLZ-UHFFFAOYSA-N
• INCHI: 1S/C7H7N3OS/c8-10-7(11)5-3-6-4(9-5)1-2-12-6/h1-3,9H,8H2,(H,10,11)
• Isómeros SMILES: C1=CSC2=C1NC(=C2)C(=O)NN
• PubChem CID: 771429

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienopyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienopyrroles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrroles
• Alternative Parents: Pyrrole carboxamides Substituted pyrroles Thiophenes Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Thienopyrrole - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Thiophene - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienopyrroles. These are heterocyclic compounds containing a thiophene ring fused to a pyrrole ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom.
• 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: 181.220 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.031 Da
• Monoisotopic Mass: 181.031 Da
• Topological Polar Surface Area: 99.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 199.000
• 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