2-methyl-4-isothiazolin-3-one
(BEGLCMHJXHIJLR-UHFFFAOYSA-N)
Structure
- SMILES
- Cn1sccc1=O
- Molecular Formula:
- C4H5NOS
- Molecular Weight:
- 115.154
- Log P:
- 0.4468
- Hydrogen Bond Acceptor:
- 3
- Hydrogen Bond Donor:
- 0
- TPSA:
- 50.24
- CAS Number(s):
- 2682-20-4; 125794-71-0
Synonym(s)
1.
2-methyl-4-isothiazolin-3-one
2.
2-methyl-4-isothiazolin-3-one hydrochloride
3.
243-K-Cg
4.
N-methylisothiazolone
5.
methyl-isothiazolinone
6.
methylisothiazolidinone
7.
methylisothiazolinone
8.
methylisothiazolone
External Link(s)
| MeSH | C011506 |
| PubChem Compound | 39800 |
| ChEBI | 53620 |
| CHEMBL | CHEMBL1620780 |
| ZINC | 1849933 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Dermatitis, Allergic Contact | 12081698 16958921 | CTD |
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