MetaADEDB 2.0 @ LMMD
5-chloro-2-methyl-4-isothiazolin-3-one
(DHNRXBZYEKSXIM-UHFFFAOYSA-N)
Structure
SMILES
Cn1sc(cc1=O)Cl
Type(s)
Approved; Experimental
Molecular Formula:
C4H4ClNOS
Molecular Weight:
149.599
Log P:
1.1002
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
0
TPSA:
50.24
CAS Number(s):
26172-55-4
Synonym(s)
1.
5-chloro-2-methyl-4-isothiazolin-3-one
2.
5-chloro-2-methyl-4-isothiazolin-3-one hydrochloride
3.
5-chloro-2-methylisothiazolin-3-one
4.
5-chloro-N-methylisothiazolone
5.
5243-K-Cg
6.
methylchloro-isothiazolinone
7.
methylchloroisothiazolinone
External Link(s)
MeSHC011421
PubChem Compound33344
ChEBI53621
CHEMBLCHEMBL1738962
DrugBankDB14197
ZINC2002061
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Emotional disorderFAERS: 1US FAERS
2PainFAERS: 1US FAERS
3Reaction to preservativesFAERS: 1US FAERS
4Dermatitis, Allergic Contact

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