General
Preferred name
Methylchloroisothiazolinone
Synonyms
5-Chloro-2-methyl-4-isothiazolin-3-one hydrochloride ()
P&D ID
PD013634
CAS
26172-55-4
55965-84-9
137662-59-0
26530-03-0
116680-96-7
Tags
available
drug
Drug Status
approved
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Methylchloroisothiazolinone is an isothiazolinone commonly used as a preservative with antibacterial and antifungal properties. Methylchloroisothiazolinone is approved for use within allergenic epicutaneous patch tests which are indicated for use as an aid in the diagnosis of allergic contact dermatitis in persons 6 years of age and older.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
DrugBank
DrugBank Approved Drugs
Enamine Bioactive Compounds
NCATS Inxight Approved Drugs
NPC Screening Collection
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
38
Molecular Weight
148.97
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
1.1
TPSA
22.0
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
5.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
