Phenethyl isothiocyanate

Phenethyl isothiocyanate
Names
	IUPAC name (2-Isothiocyanatoethyl)benzene
	Other names Phenylethyl isothiocyanate; Phenethyl mustard oil
Identifiers
CAS Number	2257-09-2
Abbreviations	PEITC
ChEBI	CHEBI:351346
ChEMBL	ChEMBL151649
ChemSpider	15870
Jmol 3D model	Interactive image
PubChem	16741
UNII	6U7TFK75KV
	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
Vapor pressure	{{{value}}}
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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	Infobox references

Phenethyl isothiocyanate (PEITC) is a naturally occurring isothiocyanate that is found in some^[which?] cruciferous vegetables.^[1]

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