Structure via PubChem · Public domain (PubChem)
phenethyl isothiocyanate
Sign in to saveAlso known as (2-Isothiocyanatoethyl)benzene, beta-phenylethyl isothiocyanate, beta-phenethyl isothiocyanate, 2-Phenylethyl isothiocyanate, Phenethyl mustard oil, Phenylethyl isothiocyanate, PEITC
chemical compound
Chemical data
- Formula
- C9H9NS
- Molecular weight
- 163.24 g/mol
- IUPAC name
- 2-isothiocyanatoethylbenzene
- SMILES
- C1=CC=C(C=C1)CCN=C=S
- InChIKey
- IZJDOKYDEWTZSO-UHFFFAOYSA-N
- XLogP
- 3.5
- Polar surface area
- 44.5 Ų
- H-bond donors
- 0
- H-bond acceptors
- 2
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Research
736 papers- Phenethyl Isothiocyanate, a Dual Activator of Transcription Factors NRF2 and HSF1.Molecular nutrition & food research · 2018
- Phenethyl isothiocyanate: a comprehensive review of anti-cancer mechanisms.Biochimica et biophysica acta · 2014
- Nutritional Sources and Anticancer Potential of Phenethyl Isothiocyanate: Molecular Mechanisms and Therapeutic Insights.Molecular nutrition & food research · 2024
- Phenethyl isothiocyanate modulates macrophage migration inhibitory factor and suppresses malignant phenotypes of glioblastoma cells.Food & function · 2025
- Phenethyl isothiocyanate protects against cyclophosphamide-induced nephrotoxicity via nuclear factor E2-related factor 2 pathway in rats.Experimental biology and medicine (Maywood, N.J.) · 2023
via PubMed
Wikidata facts
- Mass
- 163.046
Show 5 more facts
- chemical formula
- C₉H₉NS
- found in taxon
- Eutrema japonicum
- canonical SMILES
- C1=CC=C(C=C1)CCN=C=S
- Commons category
- Phenethyl isothiocyanate
- has characteristic
- bitterness
via Wikidata · CC0