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CAS 175205-37-5

:

4-Butyl-1-isothiocyanato-2-methylbenzene

Description:
4-Butyl-1-isothiocyanato-2-methylbenzene, also known by its CAS number 175205-37-5, is an organic compound characterized by the presence of both a butyl group and an isothiocyanate functional group attached to a methyl-substituted benzene ring. This compound typically exhibits a hydrophobic nature due to the presence of the butyl group, which can influence its solubility in organic solvents rather than in water. The isothiocyanate group is known for its reactivity, particularly in nucleophilic substitution reactions, and can impart biological activity, making such compounds of interest in medicinal chemistry and agrochemicals. Additionally, the presence of the aromatic ring contributes to the compound's stability and potential for π-π interactions. The compound may also exhibit specific physical properties such as a distinct odor, which is characteristic of isothiocyanates. Overall, 4-Butyl-1-isothiocyanato-2-methylbenzene is a compound of interest for various applications, including research in chemical synthesis and potential biological activities.
Formula:C12H15NS
InChI:InChI=1S/C12H15NS/c1-3-4-5-11-6-7-12(13-9-14)10(2)8-11/h6-8H,3-5H2,1-2H3
InChI key:InChIKey=BJMLHJJEHDPCKW-UHFFFAOYSA-N
SMILES:N(=C=S)C1=C(C)C=C(CCCC)C=C1
Synonyms:
  • 4-Butyl-1-Isothiocyanato-2-Methylbenzene
  • 4-Butyl-2-Methylphenyl Isothiocyanate
  • Benzene, 4-butyl-1-isothiocyanato-2-methyl-
  • Benzene, 4-butyl-1-isothiocyanato-2-methyl- (9CI)
  • P-N-Butyl-O-Tolyl Isothiocyanate
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