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

CAS: 6258-60-2 Cat. No.: M414622 Summenformel: CH₃OC₆H₄CH₂SH Molekulargewicht: 154.23 Beilstein Registry Number: 471686 EG-Nummer: 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

Übersicht

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

Synonyme

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-

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 508809676
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809676
• Kanonisches Lächeln: 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
• Isomere SMILES: COC1=CC=C(C=C1)CS
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Not miscible or difficult to mix in water.
• Empfindlichkeit: Air sensitive.
• Brechungsindex: 1.573
• Flammpunkt (°F): > 110
• Flammpunkt (°C): >110
• Siedepunkt (°C): 90-95°C/0.5mmHg
• Molekulargewicht: 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