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

CAS: 6258-60-2 Cat. No.: M414622 Formula: CH₃OC₆H₄CH₂SH Peso molecolare: 154.23 Beilstein Registry Number: 471686 Numero EC: 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

Panoramica

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

Sinonimi

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-

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 508809676
• Sorrisi canonici: 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
• Isomeri SMILES: COC1=CC=C(C=C1)CS
• WGK Germania: 3
• Peso molecolare: 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
• Descrizione: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Not miscible or difficult to mix in water.
• Sensibilità: Air sensitive.
• Indice di rifrazione: 1.573
• Punto di infiammabilità (°F): > 110
• Punto di infiammabilità (°C): >110
• Punto di ebollizione (°C): 90-95°C/0.5mmHg
• Peso molecolare: 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

Riferimenti

1. Xiaobing Ju, Xiuyuan Hu, Yanjing Gao, Jun Nie, Fang Sun.  (2021)  Two hydrogen donor-containing naphthalimide benzyl thioether photoinitiators for LED photopolymerization.  PROGRESS IN ORGANIC COATINGS,      [PMID:] [10.1016/j.porgcoat.2021.106562]

2. Xu Dong, Ruimin Li, Christian G. Schäfer, Fang Wang.  (2017)  Composite MF@Ag-NPs microspheres for label-free quantitative detection of uric acid.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2017.03.042]

3. Ruimin Li, Yuting Zhang, Jing Tan, Jiaxun Wan, Jia Guo, Changchun Wang.  (2016)  Dual-Mode Encoded Magnetic Composite Microsphere Based on Fluorescence Reporters and Raman Probes as Covert Tag for Anticounterfeiting Applications.  ACS Applied Materials & Interfaces,      [PMID:27010437] [10.1021/acsami.6b02359]