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
In the Vinony graph
Vinony's link graph records 38 inbound references to phenethyl isothiocyanate, and connects out to isothiocyanate, cruciferous vegetable and digital object identifier.
It sits within the topics Chembox image size set, ECHA InfoCard ID from Wikidata and Isothiocyanates.
Vinony links it to 11 Wikipedia language editions.
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