U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C4H5NOS.ClH
Molecular Weight 151.615
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYL-4-ISOTHIAZOLIN-3-ONE HYDROCHLORIDE

SMILES

Cl.CN1SC=CC1=O

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
2-METHYL-4-ISOTHIAZOLIN-3-ONE HYDROCHLORIDE
Systematic Name English
3(2H)-ISOTHIAZOLONE, 2-METHYL-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
117746
Created by admin on Sat Dec 16 10:06:14 UTC 2023 , Edited by admin on Sat Dec 16 10:06:14 UTC 2023
PRIMARY
CAS
26172-54-3
Created by admin on Sat Dec 16 10:06:14 UTC 2023 , Edited by admin on Sat Dec 16 10:06:14 UTC 2023
PRIMARY
RXCUI
1804258
Created by admin on Sat Dec 16 10:06:14 UTC 2023 , Edited by admin on Sat Dec 16 10:06:14 UTC 2023
PRIMARY
ECHA (EC/EINECS)
247-499-3
Created by admin on Sat Dec 16 10:06:14 UTC 2023 , Edited by admin on Sat Dec 16 10:06:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID1040740
Created by admin on Sat Dec 16 10:06:14 UTC 2023 , Edited by admin on Sat Dec 16 10:06:14 UTC 2023
PRIMARY
DAILYMED
3G9PNZ5P41
Created by admin on Sat Dec 16 10:06:14 UTC 2023 , Edited by admin on Sat Dec 16 10:06:14 UTC 2023
PRIMARY
FDA UNII
3G9PNZ5P41
Created by admin on Sat Dec 16 10:06:14 UTC 2023 , Edited by admin on Sat Dec 16 10:06:14 UTC 2023
PRIMARY