2-METHYL-4-ISOTHIAZOLIN-3-ONE HYDROCHLORIDE

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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

Structure Search

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

Molecular Formula	C4H5NOS
Molecular Weight	115.154
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
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 10:06:14 UTC 2023` Edited by `admin` on `Sat Dec 16 10:06:14 UTC 2023`
Record UNII	3G9PNZ5P41
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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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

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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

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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

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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

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