Isobutyl isothiocyanate (C5H9NS)
Isobutyl isothiocyanate (C5H9NS; CAS 591-82-2) is a practical retrosynthesis target. Isobutyl isothiocyanate presents a C5 framework. Open AI route search in one click below.
Properties
Isobutyl isothiocyanate 1H / 13C NMR spectrum →
FAQ
What is the chemical formula of Isobutyl isothiocyanate?
Isobutyl isothiocyanate has molecular formula C5H9NS. Molecular weight about 115.19 g·mol⁻¹.
What is the CAS number of Isobutyl isothiocyanate?
The CAS Registry Number for Isobutyl isothiocyanate is 591-82-2.
One click loads Isobutyl isothiocyanate into ChemicalTool Reaction for route exploration.
References & tools
- ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
- PubChem — compound identifiers and structure depictions (NIH/NCBI).
- Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.