Phenethyl isothiocyanate

Phenethyl isothiocyanate

Names
IUPAC name (2-Isothiocyanatoethyl)benzene
Other names Phenylethyl isothiocyanate; Phenethyl mustard oil
Identifiers
CAS Number	2257-09-2 N
3D model (Jmol)	Interactive image
Abbreviations	PEITC
ChEBI	CHEBI:351346 Y
ChEMBL	ChEMBL151649 Y
ChemSpider	15870 Y
ECHA InfoCard	100.017.142
PubChem	16741
UNII	6U7TFK75KV N
InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 Y Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N Y InChI=1/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 Key: IZJDOKYDEWTZSO-UHFFFAOYAB
SMILES S=C=N/CCc1ccccc1
Properties
Chemical formula	C9H9NS
Molar mass	163.24 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N  (what is YN ?)
Infobox references

Phenethyl isothiocyanate (PEITC) is a naturally occurring isothiocyanate whose precursor, gluconasturtiin is found in some cruciferous vegetables, especially watercress.

PEITC has been studied for its potential for chemoprevention of cancers, such as prostate cancer.

In terms of biosynthesis, PEITC is produced from gluconasturtiin by the action of the enzyme myrosinase.