4-Methoxythiobenzamide - ≥98% , CAS No.2362-64-3

CAS: 2362-64-3 Cat. No.: M101893 分子式: CH₃OC₆H₄CSNH₂ 分子量: 167.23 EC番号: 607-252-6

GRADE & PURITY ≥98%

Synonyms

PS-4410 | SMR000255893 | SCHEMBL201860 | J-515659 | Thio-p-anisamide | STK400095 | MFCD00040993 | (4-methoxy)thiobenzamide | 4-Methoxythiobenzamide, 97% | HMS2522L13 | 4-methoxybenzothioamide | 4-methoxybenzo-thioamide | DTXSID80178296 | NCGC00246094-01 |

Storage

Room temperature

Shipped In

Normal

概要

Product Application:

4-methoxythio Benzamide is a synthetic intermediate useful for pharmaceutical synthesis. Thiobenzamides, including 4-methoxythio benzamide, are potent hepatotoxins in vivo.

Specifications

同義語

PS-4410 | SMR000255893 | SCHEMBL201860 | J-515659 | Thio-p-anisamide | STK400095 | MFCD00040993 | (4-methoxy)thiobenzamide | 4-Methoxythiobenzamide, 97% | HMS2522L13 | 4-methoxybenzothioamide | 4-methoxybenzo-thioamide | DTXSID80178296 | NCGC00246094-01 |

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488191377
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488191377
• カノニカル・スマイル: COC1=CC=C(C=C1)C(=S)N
• IUPAC Name: 4-methoxybenzenecarbothioamide
• InChIKey: WKWVTPKUHJOVTI-UHFFFAOYSA-N
• INCHI: 1S/C8H9NOS/c1-10-7-4-2-6(3-5-7)8(9)11/h2-5H,1H3,(H2,9,11)
• 異性体SMILES: COC1=CC=C(C=C1)C(=S)N
• WGKドイツ: 3
• 分子量: 167.23
• Reaxy-Rn: 1072444
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1072444&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Thioamide - Ether - Thiocarboxylic acid amide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Thiocarbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: 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

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

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関連ターゲット（非人間）

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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作用メカニズム

化学的性質と物理的性質

• 溶解度: ≤1.4mg/ml in ethanol;25mg/ml in DMSO;25mg/ml in dimethyl formamide
• 融点（°C）: 145-149°C
• 分子量: 167.230 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 167.04 Da
• Monoisotopic Mass: 167.04 Da
• Topological Polar Surface Area: 67.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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