CAS 17608-07-0
:4-Methylpentyl isothiocyanate
Description:
4-Methylpentyl isothiocyanate is an organic compound classified as an isothiocyanate, which is characterized by the presence of the isothiocyanate functional group (-N=C=S). This compound is derived from the hydrolysis of glucosinolates found in certain cruciferous vegetables. It typically appears as a colorless to pale yellow liquid with a pungent odor, reminiscent of mustard or horseradish, which is common among isothiocyanates. The compound is known for its potential biological activities, including antimicrobial and anticancer properties, making it of interest in both food science and medicinal chemistry. It is soluble in organic solvents but has limited solubility in water. Due to its reactive nature, 4-Methylpentyl isothiocyanate can participate in various chemical reactions, including nucleophilic substitutions. Safety considerations are important when handling this compound, as it can be irritating to the skin, eyes, and respiratory system. Proper precautions, including the use of personal protective equipment, are recommended when working with this substance in laboratory or industrial settings.
Formula:C7H13NS
InChI:InChI=1S/C7H13NS/c1-7(2)4-3-5-8-6-9/h7H,3-5H2,1-2H3
InChI key:InChIKey=CZWUENKYXFGDIG-UHFFFAOYSA-N
SMILES:C(CC(C)C)CN=C=S
Synonyms:- Pentane, 1-isothiocyanato-4-methyl-
- 1-Isothiocyanato-4-methylpentane
- Isohexyl isothiocyanate
- Isothiocyanic acid, isohexyl ester
- 4-Methylpentyl isothiocyanate
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