4-Methoxy-α-toluenethiol - ≥96% , CAS No.6258-60-2

CAS: 6258-60-2 Cat. No.: M414622 Fórmula: CH₃OC₆H₄CH₂SH Peso molecular: 154.23 Beilstein Registry Number: 471686 Número CE: 228-393-6

GRADE & PURITY ≥96%

Synonyms

6258-60-2|4-Methoxybenzyl mercaptan|4-Methoxy-alpha-toluenethiol|(4-Methoxyphenyl)methanethiol|4-methoxybenzylmercaptan|4-Methoxybenzenemethanethiol|p-Methoxybenzylmercaptan|Benzenemethanethiol, 4-methoxy-|p-Methoxybenzyl Mercaptan|p-Methoxybenzylthiol|4-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

4-Methoxy-α-toluenethiol is used as an internal standard in the Quantitative determination of wine polyfunctional mercaptans at the level of nanogram per liter.
4-methoxy-α-toluenethiol is used to synthesize many ω-mercapto amino acids with side-chain lengths ranging from 3–5 methylene units.

Specifications

Sinónimos

6258-60-2 | 4-Methoxybenzyl mercaptan | 4-Methoxy-alpha-toluenethiol | (4-Methoxyphenyl)methanethiol | 4-methoxybenzylmercaptan | 4-Methoxybenzenemethanethiol | p-Methoxybenzylmercaptan | Benzenemethanethiol, 4-methoxy- | p-Methoxybenzyl Mercaptan | p-Methoxybenzylthiol | 4-

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥96%

Nomes e identificadores

Pubchem Sid

508809676

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809676

Sorrisos canónicos

COC1=CC=C(C=C1)CS

IUPAC Name

(4-methoxyphenyl)methanethiol

InChIKey

PTDVPWWJRCOIIO-UHFFFAOYSA-N

INCHI

1S/C8H10OS/c1-9-8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3

SMILES isoméricas

COC1=CC=C(C=C1)CS

WGK Alemanha

3

Peso molecular

154.23

Beilstein

471686

Reaxy-Rn

471686

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471686&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alkylthiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Alkylthiol - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Not miscible or difficult to mix in water.
• Sensibilidade: Air sensitive.
• Índice de refração: 1.573
• Ponto de inflamação (°F): > 110
• Ponto de inflamação (°C): >110
• Ponto de ebulição (°C): 90-95°C/0.5mmHg
• Peso molecular: 154.230 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.045 Da
• Monoisotopic Mass: 154.045 Da
• Topological Polar Surface Area: 10.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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