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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5NOS
Molecular Weight 115.154
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLISOTHIAZOLINONE

SMILES

CN1SC=CC1=O

InChI

InChIKey=BEGLCMHJXHIJLR-UHFFFAOYSA-N
InChI=1S/C4H5NOS/c1-5-4(6)2-3-7-5/h2-3H,1H3

HIDE SMILES / InChI

Molecular Formula C4H5NOS
Molecular Weight 115.154
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

2-Methyl-4-isothiazolin-3-one hydrochloride is an isothiazolinone based biocide and preservative used in personal care products. 2-Methyl-4-isothiazolin-3-one is also used for controlling microbial growth in water-containing solution. It is used to study the effects of tyrosine phosphorylation on focal adhesion kinase (FAK) activity in the development of neural axons and dendrites. 2-Methyl-4-isothiazolin-3-one hydrochloride (Methylisothiazolinone hydrochloride) is a common preservative used in industrial products, owing to its strong biocide effect. Contact allergy to Methylisothiazolinone hydrochloride has been reported in different occupations, including mechanics, hairdressers and healthcare workers.

Approval Year

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Patents

Sample Use Guides

In Vitro Use Guide
Methylisothiazolinone (150 uM) was able to trigger the three main key events (KE1, KE2, and KE3) of the sensitization phase of ACD in THP-1 cells.
Substance Class Chemical
Record UNII
229D0E1QFA
Record Status Validated (UNII)
Record Version