5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride
TL;DR: 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride (CAS 57373-19-0) is a chemical compound with molecular formula C4H4CaCl3NOS and molecular weight 258.8705 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium;5-chloro-2-methyl-1,2-thiazol-3-one;dichloride
Also Known As: 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride, calcium 5-chloro-2-methyl-1,2-thiazol-3-one dichloride, Dichloro(5-chloro-2-methyl-3(2H)-isothiazolone-O)calcium, Calcium, dichloro(5-chloro-2-methyl-3(2H)-isothiazolone-O)-, 5-Chloro-2-methyl-4-isothiazolin-3-one calcium(II) chloride
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H4CaCl3NOS |
| Molecular Weight | 258.8705 g/mol |
| XLogP | -5.27 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.8705 Da |
| Heavy Atoms | 11 |
| Complexity | 156.0 |
| SMILES | CN1C(=O)C=C(S1)Cl.[Cl-].[Cl-].[Ca+2] |
| InChIKey | ZLJXBBQYDUERBP-UHFFFAOYSA-L |
Chemical Property Profile of 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride
Property Insights of 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride
The XLogP value of -5.27 indicates that 5-Chloro-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, 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-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 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride?
The CAS number of 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride is 57373-19-0.
What is the molecular formula of 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride?
The molecular formula of 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride is C4H4CaCl3NOS.
What is the molecular weight of 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride?
The molecular weight of 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride is 258.8705 g/mol.
Where can I buy 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride?
You can request a quote for 5-Chloro-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 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-2-methyl-4-isothiazolin-3-one calcium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.