Cas no 3622-20-6 (Benzothiazole,4-methyl-2-(methylthio)-)

Benzothiazole,4-methyl-2-(methylthio)- is a heterocyclic organic compound featuring a benzothiazole core substituted with a methyl group at the 4-position and a methylthio group at the 2-position. This structure imparts unique chemical properties, making it valuable in applications such as agrochemicals, pharmaceuticals, and material science. The methylthio substituent enhances reactivity, particularly in nucleophilic substitution reactions, while the methyl group contributes to stability and lipophilicity. Its well-defined molecular framework allows for precise modifications in synthetic pathways. The compound is commonly utilized as an intermediate in the synthesis of more complex molecules, offering consistent performance in industrial and research settings. Proper handling and storage are recommended due to its potential reactivity.
Benzothiazole,4-methyl-2-(methylthio)- structure
3622-20-6 structure
Product Name:Benzothiazole,4-methyl-2-(methylthio)-
CAS No:3622-20-6
MF:C9H9NS2
MW:195.30445933342
CID:296115
PubChem ID:13075587
Update Time:2025-06-07

Benzothiazole,4-methyl-2-(methylthio)- Chemical and Physical Properties

Names and Identifiers

    • Benzothiazole,4-methyl-2-(methylthio)-
    • Benzothiazole, 4-methyl-2-(methylthio)- (7CI,8CI,9CI)
    • 4-methyl-2-methylsulfanyl-1,3-benzothiazole
    • SCHEMBL10816840
    • 4-Methyl-2-(methylthio)benzothiazole
    • 4-Methyl-2-(methylthio)benzo[d]thiazole
    • 3622-20-6
    • DTXSID601289596
    • Inchi： 1S/C9H9NS2/c1-6-4-3-5-7-8(6)10-9(11-2)12-7/h3-5H,1-2H3
    • InChI Key： DGOXOBITRAZMGT-UHFFFAOYSA-N
    • SMILES： S1C(=NC2=C1C=CC=C2C)SC

Computed Properties

  • Exact Mass: 195.01777
  • Monoisotopic Mass: 195.01764164g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 3.5
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • PSA: 12.89

Benzothiazole,4-methyl-2-(methylthio)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A059002823-1g
4-Methyl-2-(methylthio)benzo[d]thiazole
 3622-20-6 97%
1g
 $565.76 2023-09-02
Chemenu
CM518971-1g
4-Methyl-2-(methylthio)benzo[d]thiazole
 3622-20-6 97%
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