MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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chloromethylisothiazolinone

	Properties	Image
MNX_ID	MNXM46450
reference	chebi:53621
formula	C₄H₄ClNOS
global charge	0
mol weight	149.602
InChIKey	DHNRXBZYEKSXIM-UHFFFAOYSA-N
InChI	InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
SMILES	CN1SC(Cl)=CC1=O

MNX internals

InChI (mnx)	InChI=1/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
SMILES (mnx)	[CH3:1][N:6]1[C:4](=[O:7])[CH:2]=[C:3]([Cl:5])[S:8]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:53621 chebi:53621 DHNRXBZYEKSXIM-UHFFFAOYSA-N	chloromethylisothiazolinone 2,3-dihydro-2-methyl-3-oxo-5-chloroisothiazole 5-Chloro-2-methyl-4-isothiazolin-3-one 5-chloro-2-methyl-1,2-thiazol-3(2H)-one 5-chloro-2-methyl-2H-isothiazol-3-one CMIT MCI methylchloroisothiazolinone
hmdb:HMDB0246766 DHNRXBZYEKSXIM-UHFFFAOYSA-N	5-Chloro-2-methyl-4-isothiazolin-3-one 2,3-Dihydro-2-methyl-3-oxo-5-chloroisothiazole 5-Chloro-2-methyl-2H-isothiazol-3-one 5-Chloro-2-methyl-4-isothiazolin-3-one hydrochloride 5-Chloro-2-methylisothiazolin-3-one 5-Chloro-N-methylisothiazolone 5-chloro-2-Methyl-4-isothiazolin-3-one 5-chloro-2-methyl-2,3-dihydro-1,2-thiazol-3-one 5243-K-CG CMIT MCI Methylchloro-isothiazolinone Methylchloroisothiazolinone methylchloroisothiazolinone