2-Thienyllithium solution - 1.0M in THF/hexanes , CAS No.2786-07-4

CAS: 2786-07-4 Cat. No.: T466153 Molecular Weight: 90.07 EC Number: 220-504-6 PubChem CID: 76028

GRADE & PURITY 1.0M in THF/hexanes

Synonyms

lithium thiophen-2-ide | 2-thienyl lithium | lithiothiophene | thienyllithium | 2-Thienyllithium | 2-thienyl-lithium | lithium;2H-thiophen-2-ide | 2-lithiothiophene | Lithium, 2-thienyl- | LNMZIBGBEOKNEI-UHFFFAOYSA-N | Thiophen-2-yllithium | DTXSID6095053

Storage

Room temperature

Specifications

Synonyms

lithium thiophen-2-ide | 2-thienyl lithium | lithiothiophene | thienyllithium | 2-Thienyllithium | 2-thienyl-lithium | lithium;2H-thiophen-2-ide | 2-lithiothiophene | Lithium, 2-thienyl- | LNMZIBGBEOKNEI-UHFFFAOYSA-N | Thiophen-2-yllithium | DTXSID6095053

Specifications & Purity

1.0M in THF/hexanes

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: [Li+].C1=CS[C-]=C1
• IUPAC Name: lithium;2H-thiophen-2-ide
• InChIKey: SNHOZPMHMQQMNI-UHFFFAOYSA-N
• INCHI: 1S/C4H3S.Li/c1-2-4-5-3-1;/h1-3H;/q-1;+1
• Isomeric SMILES: [Li+].C1=CS[C-]=C1
• PubChem CID: 76028
• UN Number: 3399
• Molecular Weight: 90.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Organic lithium salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Organic lithium salt - Organic alkali metal salt - Hydrocarbon derivative - Organic salt - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero 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

• Flash Point(°F): -22.0 °F - closed cup
• Flash Point(°C): -30 °C - closed cup
• Molecular Weight: 90.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 90.0115 Da
• Monoisotopic Mass: 90.0115 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 75.600
• 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: 2

XLogP3

References

1. Na Li, Koukou Tao, Wei Xia, Chunwei Yu, Hu Yang.  (2023)  A novel cellulose/lignin/montmorillonite ternary hybrid aerogel for efficiently adsorptive removal of antibiotics from water.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.143265]