Lithium thiophenolate solution - 1.0M in THF , CAS No.2973-86-6

CAS: 2973-86-6 Cat. No.: L466138 Fórmula: C₆H₅SLi Peso molecular: 116.11 Beilstein Registry Number: 3597301 Número CE: 625-538-9

GRADE & PURITY 1.0M in THF

Synonyms

PhSLi | Thiophenol lithium salt | LITHIUM THIOPHENOXIDE | SCHEMBL1315353 | HPFQTCRYSOTMDJ-UHFFFAOYSA-M | Lithium Benzenethiolate | DTXSID50450319 | lithium;benzenethiolate

Storage

Room temperature

Specifications

Sinónimos

PhSLi | Thiophenol lithium salt | LITHIUM THIOPHENOXIDE | SCHEMBL1315353 | HPFQTCRYSOTMDJ-UHFFFAOYSA-M | Lithium Benzenethiolate | DTXSID50450319 | lithium;benzenethiolate

Especificações e pureza

1.0M in THF

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

• Sorrisos canónicos: [Li+].C1=CC=C(C=C1)[S-]
• IUPAC Name: lithium;benzenethiolate
• InChIKey: HPFQTCRYSOTMDJ-UHFFFAOYSA-M
• INCHI: 1S/C6H6S.Li/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
• SMILES isoméricas: [Li+].C1=CC=C(C=C1)[S-]
• Número UN: 2924
• Peso molecular: 116.11
• Beilstein: 3597301
• Reaxy-Rn: 3597301
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3597301&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic lithium salts Organosulfur compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic lithium salt - Organic alkali metal salt - Hydrocarbon derivative - Organic salt - Organosulfur compound - Organic cation - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): 1.4 °F - closed cup
• Ponto de inflamação (°C): -17 °C - closed cup
• Ponto de ebulição (°C): 67℃
• Peso molecular: 116.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.027 Da
• Monoisotopic Mass: 116.027 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.500
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2973-86-6, the molecular formula is C6H5LiS, and the molecular weight is 116.11 g/mol. InChIKey HPFQTCRYSOTMDJ-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.