Isothiazole, 4,5-dichloro-3-(trichloromethyl)-
TL;DR: Isothiazole, 4,5-dichloro-3-(trichloromethyl)- (CAS 118888-36-1) is a chemical compound with molecular formula C4Cl5NS and molecular weight 268.8194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dichloro-3-(trichloromethyl)-1,2-thiazole
Also Known As: Isothiazole, 4,5-dichloro-3-(trichloromethyl)-, 4,5-dichloro-3-(trichloromethyl)-1,2-thiazole, BAS 00457286, 4,5-dichloro-3-trichloromethylisothiazole, 4,5-Dichloro-3-trichloromethyl-isothiazole
Technical Specifications
| Molecular Formula | C4Cl5NS |
| Molecular Weight | 268.8194 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.8194 Da |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
| SMILES | C1(=C(SN=C1C(Cl)(Cl)Cl)Cl)Cl |
| InChIKey | NVECMKXRDFCQLY-UHFFFAOYSA-N |
Chemical Property Profile of Isothiazole, 4,5-dichloro-3-(trichloromethyl)-
Property Insights of Isothiazole, 4,5-dichloro-3-(trichloromethyl)-
The XLogP value of 4.2 indicates that Isothiazole, 4,5-dichloro-3-(trichloromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, Isothiazole, 4,5-dichloro-3-(trichloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isothiazole, 4,5-dichloro-3-(trichloromethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isothiazole, 4,5-dichloro-3-(trichloromethyl)-?
The CAS number of Isothiazole, 4,5-dichloro-3-(trichloromethyl)- is 118888-36-1.
What is the molecular formula of Isothiazole, 4,5-dichloro-3-(trichloromethyl)-?
The molecular formula of Isothiazole, 4,5-dichloro-3-(trichloromethyl)- is C4Cl5NS.
What is the molecular weight of Isothiazole, 4,5-dichloro-3-(trichloromethyl)-?
The molecular weight of Isothiazole, 4,5-dichloro-3-(trichloromethyl)- is 268.8194 g/mol.
Where can I buy Isothiazole, 4,5-dichloro-3-(trichloromethyl)-?
You can request a quote for Isothiazole, 4,5-dichloro-3-(trichloromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isothiazole, 4,5-dichloro-3-(trichloromethyl)-?
Yes, CoreyChem provides custom synthesis services for Isothiazole, 4,5-dichloro-3-(trichloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.