4-Methoxythiophenol - ≥98% , CAS No.696-63-9

CAS: 696-63-9 Cat. No.: M101780 Fórmula: CH₃OC₆H₄SH Peso molecular: 140.2 Beilstein Registry Number: 1446910 Número CE: 211-799-2

GRADE & PURITY ≥98%

Synonyms

F0001-1809 | Benzenethiol, 4-methoxy- | NIFAOMSJMGEFTQ-UHFFFAOYSA- | UNII-68N68LMU0G | InChI=1/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3 | QU5 | 4methoxythiophenol | 4-Methoxythiophenol | 4-methoxy-thiophenol | 68N68LMU0G | STR00751 | 4-methoxyphenylthiol |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

4-Methoxythiophenol was used in preparing samples for self-assembled monolayers (SAM′s) characterization and to study SAM’s effect on both n- and p-channel organic thin film transistors. 4-Methoxythiophenol was used in cesium fluoride-Celite catalyzed preparation of thioethers and thioesters.

Specifications

Sinónimos

F0001-1809 | Benzenethiol, 4-methoxy- | NIFAOMSJMGEFTQ-UHFFFAOYSA- | UNII-68N68LMU0G | InChI=1/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3 | QU5 | 4methoxythiophenol | 4-Methoxythiophenol | 4-methoxy-thiophenol | 68N68LMU0G | STR00751 | 4-methoxyphenylthiol |

Especificações e pureza

≥98%

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

≥98%

Nomes e identificadores

• Pubchem Sid: 508809685
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809685
• Sorrisos canónicos: COC1=CC=C(C=C1)S
• IUPAC Name: 4-methoxybenzenethiol
• InChIKey: NIFAOMSJMGEFTQ-UHFFFAOYSA-N
• INCHI: 1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3
• SMILES isoméricas: COC1=CC=C(C=C1)S
• WGK Alemanha: 3
• RTECS: DC1800000
• Número UN: 2810
• Grupo de embalagem: III
• Peso molecular: 140.2
• Beilstein: 1446910
• Reaxy-Rn: 1446910
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1446910&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Thiophenol - Phenol ether - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Arylthiol - Ether - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Not miscible or difficult to mix.
• Sensibilidade: Air sensitive.
• Índice de refração: 1.5831
• Ponto de inflamação (°F): 204.8 °F
• Ponto de inflamação (°C): 96 °C
• Ponto de ebulição (°C): 100-103°C/13mmHg
• Peso molecular: 140.200 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.03 Da
• Monoisotopic Mass: 140.03 Da
• Topological Polar Surface Area: 10.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• 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