Cas no 1184222-62-5 (4-methoxy-3-methylbenzene-1-carbothioamide)

4-Methoxy-3-methylbenzene-1-carbothioamide is a specialized organic compound featuring a methoxy and methyl substituent on the benzene ring, along with a carbothioamide functional group. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The presence of both electron-donating groups (methoxy and methyl) enhances its utility in electrophilic substitution reactions, while the carbothioamide moiety allows for further functionalization, such as heterocycle formation. Its well-defined molecular architecture ensures consistent performance in synthetic applications, particularly in the development of bioactive molecules. The compound is typically characterized by high purity and stability under standard handling conditions, supporting its use in precision chemical processes.
4-methoxy-3-methylbenzene-1-carbothioamide structure
1184222-62-5 structure
Product Name:4-methoxy-3-methylbenzene-1-carbothioamide
CAS No:1184222-62-5
MF:C9H11NOS
MW:181.254740953445
CID:4561766
PubChem ID:58661820
Update Time:2025-06-09

4-methoxy-3-methylbenzene-1-carbothioamide Chemical and Physical Properties

Names and Identifiers

    • Benzenecarbothioamide, 4-methoxy-3-methyl-
    • 4-Methoxy-3-methylbenzothioamide
    • 4-methoxy-3-methylbenzene-1-carbothioamide
    • Inchi: 1S/C9H11NOS/c1-6-5-7(9(10)12)3-4-8(6)11-2/h3-5H,1-2H3,(H2,10,12)
    • InChI Key: MHAUAYCLJGOHSX-UHFFFAOYSA-N
    • SMILES: C1(C(N)=S)=CC=C(OC)C(C)=C1

Computed Properties

  • Exact Mass: 181.05613515g/mol
  • Monoisotopic Mass: 181.05613515g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 67.3?2

4-methoxy-3-methylbenzene-1-carbothioamide Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1426403-50mg
4-Methoxy-3-methylbenzothioamide
1184222-62-5 98%
50mg
¥22323.00 2024-08-09
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