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Details

Stereochemistry ACHIRAL
Molecular Formula C4H3Cl2NOS
Molecular Weight 184.044
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-DICHLORO-2-METHYL-3(2H)-ISOTHIAZOLONE

SMILES

CN1SC(Cl)=C(Cl)C1=O

InChI

InChIKey=CVZDIUZSWUDGOP-UHFFFAOYSA-N
InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3

HIDE SMILES / InChI

Molecular Formula C4H3Cl2NOS
Molecular Weight 184.044
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Trace analysis of isothiazolinones in water samples by large-volume direct injection liquid chromatography tandem mass spectrometry.
2010-08-06
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:16:31 GMT 2025
Edited
by admin
on Mon Mar 31 21:16:31 GMT 2025
Record UNII
16E68NA30Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-DICHLORO-2-METHYL-3(2H)-ISOTHIAZOLONE
Systematic Name English
2-METHYL-4,5-DICHLORO-3-ISOTHIAZOLONE
Preferred Name English
4,5-DICHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE
Systematic Name English
2-METHYL-4,5-DICHLOROISOTHIAZOLIN-3-ONE
Systematic Name English
4-ISOTHIAZOLIN-3-ONE, 4,5-DICHLORO-2-METHYL-
Systematic Name English
3(2H)-ISOTHIAZOLONE, 4,5-DICHLORO-2-METHYL-
Systematic Name English
Code System Code Type Description
FDA UNII
16E68NA30Z
Created by admin on Mon Mar 31 21:16:31 GMT 2025 , Edited by admin on Mon Mar 31 21:16:31 GMT 2025
PRIMARY
EPA CompTox
DTXSID50181116
Created by admin on Mon Mar 31 21:16:31 GMT 2025 , Edited by admin on Mon Mar 31 21:16:31 GMT 2025
PRIMARY
PUBCHEM
147017
Created by admin on Mon Mar 31 21:16:31 GMT 2025 , Edited by admin on Mon Mar 31 21:16:31 GMT 2025
PRIMARY
CAS
26542-23-4
Created by admin on Mon Mar 31 21:16:31 GMT 2025 , Edited by admin on Mon Mar 31 21:16:31 GMT 2025
PRIMARY
MESH
C059792
Created by admin on Mon Mar 31 21:16:31 GMT 2025 , Edited by admin on Mon Mar 31 21:16:31 GMT 2025
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