4-Pentenyl isothiocyanate (C6H9NS)

4-Pentenyl isothiocyanate presents a C6 framework, unsaturation (formula C6H9NS, CAS 18060-79-2). ChemicalTool Reaction can propose ranked disconnections for 4-Pentenyl isothiocyanate from the SMILES C=CCCCN=C=S.

Target: 4-Pentenyl isothiocyanate
CAS: 18060-79-2
Formula: C6H9NS
Approx. MW: 127.21
SMILES: C=CCCCN=C=S
PubChem CID: 87436
Approx. carbons: C6

4-Pentenyl isothiocyanate structure

Properties

Molecular weight: 127.21

View on PubChem

4-Pentenyl isothiocyanate 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of 4-Pentenyl isothiocyanate?

4-Pentenyl isothiocyanate has molecular formula C6H9NS. Molecular weight about 127.21 g·mol⁻¹.

What is the CAS number of 4-Pentenyl isothiocyanate?

The CAS Registry Number for 4-Pentenyl isothiocyanate is 18060-79-2.

Run AI retrosynthesis for 4-Pentenyl isothiocyanate Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C6H9NS.

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.