2-Methyl-4-isothiazolin-3-one calcium chloride
TL;DR: 2-Methyl-4-isothiazolin-3-one calcium chloride (CAS 57373-20-3) is a chemical compound with molecular formula C4H5CaCl2NOS and molecular weight 224.90948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium;2-methyl-1,2-thiazol-3-one;dichloride
Also Known As: Microbiocide 886, RH 651 calcium chloride, 2-Methyl-4-isothiazolin-3-one calcium chloride, RH 30, EPA Pesticide Chemical Code 107102
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H5CaCl2NOS |
| Molecular Weight | 224.90948 g/mol |
| XLogP | -5.93 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.90948 Da |
| Heavy Atoms | 10 |
| Complexity | 121.0 |
| SMILES | CN1C(=O)C=CS1.[Cl-].[Cl-].[Ca+2] |
| InChIKey | ZNUJLBVUZKNDOW-UHFFFAOYSA-L |
Chemical Property Profile of 2-Methyl-4-isothiazolin-3-one calcium chloride
Property Insights of 2-Methyl-4-isothiazolin-3-one calcium chloride
The XLogP value of -5.93 indicates that 2-Methyl-4-isothiazolin-3-one calcium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 45.6 Ų, 2-Methyl-4-isothiazolin-3-one calcium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-isothiazolin-3-one calcium chloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-4-isothiazolin-3-one calcium chloride?
The CAS number of 2-Methyl-4-isothiazolin-3-one calcium chloride is 57373-20-3.
What is the molecular formula of 2-Methyl-4-isothiazolin-3-one calcium chloride?
The molecular formula of 2-Methyl-4-isothiazolin-3-one calcium chloride is C4H5CaCl2NOS.
What is the molecular weight of 2-Methyl-4-isothiazolin-3-one calcium chloride?
The molecular weight of 2-Methyl-4-isothiazolin-3-one calcium chloride is 224.90948 g/mol.
Where can I buy 2-Methyl-4-isothiazolin-3-one calcium chloride?
You can request a quote for 2-Methyl-4-isothiazolin-3-one calcium chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-4-isothiazolin-3-one calcium chloride?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-4-isothiazolin-3-one calcium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.