Allyl isothiocyanate

from source

C4H5NS · 99.16 g/mol

AITC · AIT · oil of mustard · allyl mustard oil

What is Allyl isothiocyanate?

The sinus-clearing sting of mustard, horseradish, and wasabi. Allyl isothiocyanate (C4H5NS, 99 g/mol) is a compound found in everyday food and flavor. from source

CategoryFood & flavor

LeaderboardsBiggest Deadliest

Fig. 1 · 2D structure RDKit

SMILESC=CCN=C=S

The dose makes the poison inferred

A reported rat oral LD50 for Allyl isothiocyanate is 112 mg/kg, the dose lethal to half the animals tested. Scaled by body mass alone:

your weight154 lb

7.8 g

a median lethal dose scaled to 154 lb (7,840 mg)

“The dose makes the poison” is a cross-species estimate shown as neutral science, not a threshold anyone should act on. Real toxicity depends on the person, not body mass alone.

Toxicity & hazards

Toxicity · LD50

112 mg/kg · moderately toxic · LD50 rat oral from source

The dose lens above scales this to a body weight.

4 more reported values

339 mg/kgLD50 · oral · rat
12 mg/kgLD50 · iv · rabbit
80 mg/kgLD50 · other · mouse
92 mg/kgLD50 · other · rat

DangerFlammableToxicIrritantHealth hazardEnvironmentalH226, H301, H302, H310, H315, H317, H319, H330, H361, H371, H373, H400, H410from source

Keep roaming

Where Allyl isothiocyanate leads

Found infrom source

A spicy dinnereveryday world

Sources & methodology

PubChem CID: 5971
Wikidata: Q419406
Structure: PubChem → RDKit
LD50: PubChem
Everyday relationships: MoleculeFinder editorial curation
Data refreshed: October 19, 2026

How MoleculeFinder sources and labels its data