5-CHLORO-2-METHYL-3-ISOTHIAZOLONE 1-OXIDE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C4H4ClNO2S
Molecular Weight	165.598
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-CHLORO-2-METHYL-3-ISOTHIAZOLONE 1-OXIDE

Structure Search

SMILES

CN1[S+]([O-])C(Cl)=CC1=O

InChI

InChIKey=SSTMZHHZGFAKTQ-UHFFFAOYSA-N

InChI=1S/C4H4ClNO2S/c1-6-4(7)2-3(5)9(6)8/h2H,1H3

HIDE SMILES / InChI

Molecular Formula	C4H4ClNO2S
Molecular Weight	165.598
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:40:17 GMT 2023` Edited by `admin` on `Sat Dec 16 11:40:17 GMT 2023`
Record UNII	X631IXE87F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-CHLORO-2-METHYL-3-ISOTHIAZOLONE 1-OXIDE

Systematic Name

English

3(2H)-ISOTHIAZOLONE, 5-CHLORO-2-METHYL-, 1-OXIDE

Systematic Name

English

Code System Code Type Description

DAILYMED

X631IXE87F

Created by admin on Sat Dec 16 11:40:17 GMT 2023 , Edited by admin on Sat Dec 16 11:40:17 GMT 2023

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RXCUI

1862282

Created by admin on Sat Dec 16 11:40:17 GMT 2023 , Edited by admin on Sat Dec 16 11:40:17 GMT 2023

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PUBCHEM

15960478

Created by admin on Sat Dec 16 11:40:17 GMT 2023 , Edited by admin on Sat Dec 16 11:40:17 GMT 2023

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FDA UNII

X631IXE87F

Created by admin on Sat Dec 16 11:40:17 GMT 2023 , Edited by admin on Sat Dec 16 11:40:17 GMT 2023

PRIMARY

CAS

57122-19-7

Created by admin on Sat Dec 16 11:40:17 GMT 2023 , Edited by admin on Sat Dec 16 11:40:17 GMT 2023

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