2,3-Bis(2,4,5-trimethyl-3-thienyl)maleic Anhydride - ≥97%(T) , CAS No.112440-47-8

CAS: 112440-47-8 Cat. No.: B152175 Molecular Weight: 346.46

GRADE & PURITY ≥97%(T)

Synonyms

2,3-Bis(2,4,5-trimethyl-3-thienyl)maleicanhydride | AKOS015842172 | DTXSID90464218 | AS-69050 | SCHEMBL1309549 | 2,3-bis-(2,4,5-Trimethyl-3-thienyl)maleic anhydride | 2,3-Bis(2,4,5-trimethyl-3-thienyl)maleic Anhydride | MFCD00142789 | B1534 | T70093 | SB6

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 3-Bis(2, 4, 5-trimethyl-3-thienyl)maleicanhydride | AKOS015842172 | DTXSID90464218 | AS-69050 | SCHEMBL1309549 | 2, 3-bis-(2, 4, 5-Trimethyl-3-thienyl)maleic anhydride | 2, 3-Bis(2, 4, 5-trimethyl-3-thienyl)maleic Anhydride | MFCD00142789 | B1534 | T70093 | SB6

Specifications & Purity

≥97%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 488197456
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197456
• Canonical Smiles: CC1=C(SC(=C1C2=C(C(=O)OC2=O)C3=C(SC(=C3C)C)C)C)C
• IUPAC Name: 3,4-bis(2,4,5-trimethylthiophen-3-yl)furan-2,5-dione
• InChIKey: ANYDHJQJXVIYHM-UHFFFAOYSA-N
• INCHI: 1S/C18H18O3S2/c1-7-9(3)22-11(5)13(7)15-16(18(20)21-17(15)19)14-8(2)10(4)23-12(14)6/h1-6H3
• Isomeric SMILES: CC1=C(SC(=C1C2=C(C(=O)OC2=O)C3=C(SC(=C3C)C)C)C)C
• Molecular Weight: 346.46
• Reaxy-Rn: 5087675
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5087675&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dihydrofurans
      • Subclass Furanones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dihydrofurans
• Subclass: Furanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Butenolides
• Alternative Parents: Dicarboxylic acids and derivatives Thiophenes Heteroaromatic compounds Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - 2-furanone - Heteroaromatic compound - Thiophene - Carboxylic acid anhydride - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon 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

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive
• Melt Point(°C): 168 °C
• Molecular Weight: 346.500 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 346.07 Da
• Monoisotopic Mass: 346.07 Da
• Topological Polar Surface Area: 99.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 523.000
• 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