Thieno[3,2-b]thiophene-2-carboxylic Acid - ≥98%(HPLC) , CAS No.1723-27-9

CAS: 1723-27-9 Cat. No.: T162471 Peso molecular: 184.23 Número EC: 674-358-7 PubChem CID: 660319

GRADE & PURITY ≥98%(HPLC)

Synonyms

Thieno[3,2-b]thiophene-2-carboxylicacid | thieno[3,2-b]thiophene-5-carboxylic acid | CHEBI:195115 | HMS2316P13 | BDBM48329 | MLS000036934 | thienothiophene carboxylic acid | SCHEMBL335232 | thiopheno[3,2-b]thiophene-2-carboxylic acid | Thieno[3,2-b]thioph

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Thieno[3,2-b]thiophene-2-carboxylic acid is a fragment molecule with CAS number 1723-27-9. It can serve as an important backbone for molecular splicing, expansion, and modification, providing a structural basis and research tool for the design and screening of novel drug candidates. It is often used in drug discovery, drug synthesis, and other related research.

Specifications

Sinónimos

Thieno[3, 2-b]thiophene-2-carboxylicacid | thieno[3, 2-b]thiophene-5-carboxylic acid | CHEBI:195115 | HMS2316P13 | BDBM48329 | MLS000036934 | thienothiophene carboxylic acid | SCHEMBL335232 | thiopheno[3, 2-b]thiophene-2-carboxylic acid | Thieno[3, 2-b]thioph

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504759798
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759798
• Sonrisas canónicas: C1=CSC2=C1SC(=C2)C(=O)O
• IUPAC Name: thieno[3,2-b]thiophene-5-carboxylic acid
• InChIKey: GVZXSZWCZGKLRS-UHFFFAOYSA-N
• INCHI: 1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
• Isómeros SMILES: C1=CSC2=C1SC(=C2)C(=O)O
• PubChem CID: 660319
• Peso molecular: 184.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienothiophenes
• Alternative Parents: Thiophene carboxylic acids 2,3,5-trisubstituted thiophenes Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienothiophene - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Thiophene carboxylic acid - Heteroaromatic compound - Thiophene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienothiophenes. These are organic compounds containing two thiophene rings fused to each other.
• 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

Objetivos asociados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

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

GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

Discover Target: GPR35

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Impa1 Inositol monophosphatase 1 (16203 Activities)

Discover Target: Impa1

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

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 223 °C(dec.)
• Peso molecular: 184.200 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 183.965 Da
• Monoisotopic Mass: 183.965 Da
• Topological Polar Surface Area: 93.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 183.000
• 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