Thieno[3,2-b]thiophene-2,5-dicarboxylic acid - ≥95% , CAS No.18646-81-6

CAS: 18646-81-6 Cat. No.: T770328 Molecular Weight: 228.25 EC Number: 832-455-3

GRADE & PURITY ≥95%

Synonyms

Thieno[3,2-b]thiophene-2,4-dicarboxylic acid

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Thieno[3, 2-b]thiophene-2, 4-dicarboxylic acid

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=C(SC2=C1SC(=C2)C(=O)O)C(=O)O
• IUPAC Name: thieno[3,2-b]thiophene-2,5-dicarboxylic acid
• InChIKey: JMURVZFFOUWCNW-UHFFFAOYSA-N
• INCHI: 1S/C8H4O4S2/c9-7(10)5-1-3-4(14-5)2-6(13-3)8(11)12/h1-2H,(H,9,10)(H,11,12)
• Isomeric SMILES: C1=C(SC2=C1SC(=C2)C(=O)O)C(=O)O
• Molecular Weight: 228.25

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienothiophenes
• Alternative Parents: Thiophene carboxylic acids 2,3,5-trisubstituted thiophenes Dicarboxylic acids and derivatives Heteroaromatic compounds 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 - Dicarboxylic acid or derivatives - Heteroaromatic compound - Thiophene - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: light sensitive；air sensitive
• Boil Point(°C): 544.1±45.0 °C at 760 mmHg
• Melt Point(°C): 340-350 °C
• Molecular Weight: 228.200 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 227.955 Da
• Monoisotopic Mass: 227.955 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 253.000
• 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