3-Metoxitiofenol - ≥98% , CAS No.15570-12-4

CAS: 15570-12-4 Cat. No.: M101779 Fórmula: CH₃OC₆H₄SH Peso molecular: 140.2 Beilstein Registry Number: 2041496 Número CE: 239-617-7

GRADE & PURITY ≥98%

Synonyms

BP-10733 | m-Methoxy phenyl mercaptan | 3-methyloxy-benzenethiol | PS-3033 | AKOS005257798 | m-Methoxythiophenol | (M-METHOXYPHENYL)THIOL | NSC-518339 | 3-Methoxy thiophenol | 3-methoxy -thiophenol | AMY21950 | 3-Mercaptoanisole | 3-METHOXYBENZENE-1-THIOL

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Visão geral

o 3-metoxitiofenol foi utilizado na preparação de alenos。

Specifications

Sinónimos

BP-10733 | m-Methoxy phenyl mercaptan | 3-methyloxy-benzenethiol | PS-3033 | AKOS005257798 | m-Methoxythiophenol | (M-METHOXYPHENYL)THIOL | NSC-518339 | 3-Methoxy thiophenol | 3-methoxy -thiophenol | AMY21950 | 3-Mercaptoanisole | 3-METHOXYBENZENE-1-THIOL

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 508809045
• Sorrisos canónicos: COC1=CC(=CC=C1)S
• IUPAC Name: 3-methoxybenzenethiol
• InChIKey: QMVAZEHZOPDGHA-UHFFFAOYSA-N
• INCHI: 1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3
• SMILES isoméricas: COC1=CC(=CC=C1)S
• WGK Alemanha: 3
• Número UN: 2810
• Peso molecular: 140.2
• Beilstein: 2041496
• Reaxy-Rn: 2041496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2041496&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 in water. Soluble in methanol, benzene, hexane, toluene and dichloromethane.
• Sensibilidade: Air sensitive.
• Índice de refração: 1.587
• Ponto de inflamação (°F): 204.8 °F
• Ponto de inflamação (°C): 96 °C
• Ponto de ebulição (°C): 223-226°C
• Peso molecular: 140.200 g/mol
• XLogP3: 2.500
• 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: 85.000
• 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

Referências

1. Jun Zha, Xiangfu Meng, Wentao Fan, Qing You, Nan Xia, Wanmiao Gu, Yan Zhao, Lin Hu, Jin Li, Haiteng Deng, Hui Wang, Nan Yan, Zhikun Wu.  (2023)  Surface Site-Specific Replacement for Catalysis Selectivity Switching.  ACS Applied Materials & Interfaces,      [PMID:36622953] [10.1021/acsami.2c18553]

2. H. Nabipour, X. Wang, L. Song, Y. Hu.  (2022)  Synthesis of a bio-based and intrinsically anti-flammable epoxy thermoset and the application of its carbonized foam as an efficient CO2 capture adsorbent.  Materials Today Sustainability,      [PMID:] [10.1016/j.mtsust.2022.100265]

3. Chen Xuejing, Zhou Xuesi, He Qinghua, He Yonghong, Guan Tian, Feng Guangxia, Wang Bei, Xie Luyuan, Ji Yanhong.  (2020)  Hydrogel-based microbeads for Raman-encoded suspension array using the reversed-phase suspension polymerization method and ultraviolet light curing.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  412  (12): (2731-2741).  [PMID:32157359] [10.1007/s00216-020-02528-5]