2-Methyl-4-isothiazolin-3-one calcium chloride
Basic information
- CAS
57373-20-3- Standard SMILES
Cn1sccc1=O.[Ca+2].[Cl-].[Cl-]- InChIKey
ZNUJLBVUZKNDOW-UHFFFAOYSA-L- Molecular formula
- C4H5CaCl2NOS
- Average molar mass
- 226.14 g/mol
- Monoisotopic mass
- 224.9094812
Names & identifiers
- Preferred name
- 2-Methyl-4-isothiazolin-3-one calcium chloride
- IUPAC
- calcium;2-methyl-1,2-thiazol-3-one;dichloride
Names & synonyms
Microbiocide 8862-Methyl-4-isothiazolin-3-one calcium chlorideRH 651 calcium chlorideCaswell No. 195C57373-20-3RH 30EPA Pesticide Chemical Code 107102UNII-VHI00378X9Calcium, dichloro(2-methyl-3(2H)-isothiazolone-O)-VHI00378X9RH-651 CALCIUM CHLORIDERH-30
Show more names
RefChem:88133DTXSID70897186DTXCID101326595calcium;2-methyl-1,2-thiazol-3-one;dichlorideSCHEMBL156132Q27291839
Database identifiers
- CAS
57373-20-3- PubChem CID
- 42294
- UNII
- VHI00378X9
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 121
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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