1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-
TL;DR: 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- (CAS 5848-93-1) is a chemical compound with molecular formula C3Cl4N2S and molecular weight 235.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole
Also Known As: 5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole, C3Cl4N2S, 1-(2-Hydroxyphenyl)piperazine, 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-, 3-Trichlormethyl-5-chlor-1,2,4-thiadiazol
| Molecular Formula | C3Cl4N2S |
|---|---|
| Molecular Weight | 235.85 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 237.85068 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 5848-93-1 |
|---|---|
| SMILES | C1(=NSC(=N1)Cl)C(Cl)(Cl)Cl |
| InChIKey | MARKPJMFLDWCID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- (CAS 5848-93-1), with molecular formula C3Cl4N2S and molecular weight 235.85 g/mol. IUPAC: 5-chloro-3-(trichloromethyl)-1,2,4-thiadiazole.
Chemical Property Profile of 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-
Property Insights of 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-. With a topological polar surface area (TPSA) of 54.0 Ų, 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-?
The CAS number of 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- is 5848-93-1.
What is the molecular formula of 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-?
The molecular formula of 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- is C3Cl4N2S.
What is the molecular weight of 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-?
The molecular weight of 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- is 235.85 g/mol.
Where can I buy 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-?
You can request a quote for 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Thiadiazole, 5-chloro-3-(trichloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.