2,3-Bis(2,4,5-trimethyl-3-thienyl)maleimide - ≥97%(HPLC)(T) , CAS No.220191-36-6

CAS: 220191-36-6 Cat. No.: B152176 Molecular Weight: 345.48

GRADE & PURITY ≥97%(HPLC)(T)

Synonyms

D88823 | AKOS015842171 | FT-0752473 | 2,3-Bis(2,4,5-trimethyl-3-thienyl)maleimide | MFCD00142790 | A911446 | 3,4-Bis(2,4,5-trimethylthiophen-3-yl)-1H-pyrrole-2,5-dione | 3,4-bis(2,4,5-trimethylthiophen-3-yl)pyrrole-2,5-dione | ZINC02512319 | SCHEMBL130963

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

D88823 | AKOS015842171 | FT-0752473 | 2, 3-Bis(2, 4, 5-trimethyl-3-thienyl)maleimide | MFCD00142790 | A911446 | 3, 4-Bis(2, 4, 5-trimethylthiophen-3-yl)-1H-pyrrole-2, 5-dione | 3, 4-bis(2, 4, 5-trimethylthiophen-3-yl)pyrrole-2, 5-dione | ZINC02512319 | SCHEMBL130963

Specifications & Purity

≥97%(HPLC)(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(HPLC)(T)

Names and Identifiers

• Canonical Smiles: CC1=C(SC(=C1C2=C(C(=O)NC2=O)C3=C(SC(=C3C)C)C)C)C
• IUPAC Name: 3,4-bis(2,4,5-trimethylthiophen-3-yl)pyrrole-2,5-dione
• InChIKey: OHZCQTZIDIVCPI-UHFFFAOYSA-N
• INCHI: 1S/C18H19NO2S2/c1-7-9(3)22-11(5)13(7)15-16(18(21)19-17(15)20)14-8(2)10(4)23-12(14)6/h1-6H3,(H,19,20,21)
• Isomeric SMILES: CC1=C(SC(=C1C2=C(C(=O)NC2=O)C3=C(SC(=C3C)C)C)C)C
• Molecular Weight: 345.48
• Reaxy-Rn: 10709389
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10709389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Maleimides
• Alternative Parents: Thiophenes Pyrrolines N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Maleimide - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Pyrroline - Thiophene - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as maleimides. These are compounds containing a 2,5-pyrroledione moiety.
• 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

• Melt Point(°C): 181 °C
• Molecular Weight: 345.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 345.086 Da
• Monoisotopic Mass: 345.086 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 525.000
• 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