Phenethyl isothiocyanate

Phenethyl isothiocyanate
Names
	Preferred IUPAC name (2-Isothiocyanatoethyl)benzene
	Other names Phenylethyl isothiocyanate; Phenethyl mustard oil
Identifiers
CAS Number	2257-09-2 ;
3D model (JSmol)	Interactive image;
Abbreviations	PEITC
ChEBI	CHEBI:351346 ;
ChEMBL	ChEMBL151649 ;
ChemSpider	15870 ;
ECHA InfoCard	100.017.142
PubChem CID	16741;
UNII	6U7TFK75KV ;
CompTox Dashboard (EPA)	DTXSID5021120 ;
	InChI InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 Key: IZJDOKYDEWTZSO-UHFFFAOYSA-N ; 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). verify (what is ?) Infobox references

Phenethyl isothiocyanate (PEITC) is a naturally occurring isothiocyanate whose precursor, gluconasturtiin is found in some cruciferous vegetables,^[1] especially watercress.

PEITC has been studied for its potential for chemoprevention of cancers,^[2]^[3] such as prostate cancer.^[4]

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

References