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

CAS: 2786-07-4 Cat. No.: T466153 Formule: C₄H₃LiS Poids moléculaire: 90.07 Numéro CE: 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

Synonymes

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

Spécifications et pureté

1.0M in THF/hexanes

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Sourires canoniques: [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
• Isomères SMILES: [Li+].C1=CS[C-]=C1
• PubChem CID: 76028
• Numéro ONU: 3399
• Poids moléculaire: 90.07

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): -22.0 °F - closed cup
• Point d'éclair (°C): -30 °C - closed cup
• Poids moléculaire: 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

Références

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]