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

CAS: 2362-64-3 Cat. No.: M101893 Formule: CH₃OC₆H₄CSNH₂ Poids moléculaire: 167.23 Numéro CE: 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

Vue d’ensemble

Product Application:

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

Specifications

Synonymes

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 |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488191377
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191377
• Sourires canoniques: 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)
• Isomères SMILES: COC1=CC=C(C=C1)C(=S)N
• WGK Allemagne: 3
• Poids moléculaire: 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
    • 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 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
• Description: 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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: ≤1.4mg/ml in ethanol;25mg/ml in DMSO;25mg/ml in dimethyl formamide
• Point de fusion (°C): 145-149°C
• Poids moléculaire: 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