2-Methyl-3-phenyl-4H-1-benzopyran-4-thione

Base Information

• Chemical Name: 2-Methyl-3-phenyl-4H-1-benzopyran-4-thione
• CAS No.: 89295-98-7
• Molecular Formula: C₁₆H₁₂OS
• Molecular Weight: 252.337
• DSSTox Substance ID: DTXSID70526449
• Wikidata: Q82394894

Synonyms:89295-98-7;2-Methyl-3-phenyl-4H-1-benzopyran-4-thione;2-methyl-3-phenyl-thiochromone;DTXSID70526449

Chemical Property of 2-Methyl-3-phenyl-4H-1-benzopyran-4-thione

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 252.06088618
• Heavy Atom Count: 18
• Complexity: 365

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=S)C2=CC=CC=C2O1)C3=CC=CC=C3

Technology Process of 2-Methyl-3-phenyl-4H-1-benzopyran-4-thione

There total 1 articles about 2-Methyl-3-phenyl-4H-1-benzopyran-4-thione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-methyl-3-phenyl-4H-1-benzopyran-4-one (24258-66-0) → 2-methyl-3-phenyl-chromene-4-thione (89295-98-7)

Guidance literature:

With phosphorous (V) sulfide; benzene;

Reference yield:

2-methyl-3-phenyl-chromene-4-thione (89295-98-7) → 2-(3-Methyl-4-phenyl-isothiazol-5-yl)-phenol (89296-07-1)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; Ambient temperature; Britton-Robinson buffer, pH 14;

Reference yield:

2-methyl-3-phenyl-chromene-4-thione (89295-98-7) → 2-(5-methyl-4-phenyl-1(2)H-pyrazol-3-yl)-phenol

Guidance literature:

With ethanol; NaH₄+H₂O;

upstream raw materials:

2-methyl-3-phenyl-4H-1-benzopyran-4-one

Downstream raw materials:

2-(3-Methyl-4-phenyl-isothiazol-5-yl)-phenol

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