3-PHENYLPROPYL ISOTHIOCYANATE

S=C=NCCCC1=CC=CC=C1

InChIKey=GRUOGLPIAPZLHJ-UHFFFAOYSA-N

InChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

PubMed

Title	Date	PubMed
Effects of eleven isothiocyanates on P450 2A6- and 2A13-catalyzed coumarin 7-hydroxylation.	2007-09	17672516
Inhibition of lung tumorigenesis in A/J mice by N-acetyl-S-(N-2-phenethylthiocarbamoyl)-L-cysteine and myo-inositol, individually and in combination.	2002-09	12189187
Investigation of the enhancement of N-nitrosomethylbenzylamine-induced esophageal tumorigenesis by 6-phenylhexyl isothiocyanate.	2001-01-10	11121858

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:40:30 GMT 2025` Edited by `admin` on `Mon Mar 31 19:40:30 GMT 2025`
Record UNII	1S20IA5GGO
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

3-PHENYLPROPYL ISOTHIOCYANATE

Systematic Name

English

PHENYLPROPYL MUSTARD OIL

Preferred Name

English

PHENYLPROPYL ISOTHIOCYANATE, 3-

Systematic Name

English

BENZENE, (3-ISOTHIOCYANATOPROPYL)-

Systematic Name

English

ISOTHIOCYANIC ACID, 3-PHENYLPROPYL ESTER

Systematic Name

English

Code System Code Type Description

PUBCHEM

75815