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

CAS: 15570-12-4 Cat. No.: M101779 Summenformel: CH₃OC₆H₄SH Molekulargewicht: 140.2 Beilstein Registry Number: 2041496 EG-Nummer: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

3-Methoxythiophenol was used in the preparation of allenes。

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

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

≥98%

Namen und Kennungen

• Pubchem Sid: 508809045
• Kanonisches Lächeln: 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
• Isomere SMILES: COC1=CC(=CC=C1)S
• WGK Deutschland: 3
• UN-Nummer: 2810
• Molekulargewicht: 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
    • Klasse Thiophenols

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Not miscible or difficult to mix in water. Soluble in methanol, benzene, hexane, toluene and dichloromethane.
• Empfindlichkeit: Air sensitive.
• Brechungsindex: 1.587
• Flammpunkt (°F): 204.8 °F
• Flammpunkt (°C): 96 °C
• Siedepunkt (°C): 223-226°C
• Molekulargewicht: 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

Referenzen

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]