Methyl 4,5-dichloroisothiazole-3-carboxylate
TL;DR: Methyl 4,5-dichloroisothiazole-3-carboxylate (CAS 166668-81-1) is a chemical compound with molecular formula C5H3Cl2NO2S and molecular weight 210.92615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4,5-dichloro-1,2-thiazole-3-carboxylate
Also Known As: methyl 4,5-dichloroisothiazole-3-carboxylate, TimTec1_000057, methyl 4,5-dichloro-1,2-thiazole-3-carboxylate, BAS 00457289, 4,5-Dichloro-isothiazole-3-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C5H3Cl2NO2S |
| Molecular Weight | 210.92615 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.92615 Da |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
| SMILES | COC(=O)C1=NSC(=C1Cl)Cl |
| InChIKey | CICHVVTYUVANBB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4,5-dichloroisothiazole-3-carboxylate
Property Insights of Methyl 4,5-dichloroisothiazole-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4,5-dichloroisothiazole-3-carboxylate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4,5-dichloroisothiazole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 4,5-dichloroisothiazole-3-carboxylate 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 Methyl 4,5-dichloroisothiazole-3-carboxylate?
The CAS number of Methyl 4,5-dichloroisothiazole-3-carboxylate is 166668-81-1.
What is the molecular formula of Methyl 4,5-dichloroisothiazole-3-carboxylate?
The molecular formula of Methyl 4,5-dichloroisothiazole-3-carboxylate is C5H3Cl2NO2S.
What is the molecular weight of Methyl 4,5-dichloroisothiazole-3-carboxylate?
The molecular weight of Methyl 4,5-dichloroisothiazole-3-carboxylate is 210.92615 g/mol.
Where can I buy Methyl 4,5-dichloroisothiazole-3-carboxylate?
You can request a quote for Methyl 4,5-dichloroisothiazole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4,5-dichloroisothiazole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4,5-dichloroisothiazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.