3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole
TL;DR: 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole (CAS 845879-22-3) is a chemical compound with molecular formula C9H5Cl3N2OS2 and molecular weight 325.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole
Also Known As: 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole, 3-Chloro-5-((3,4-dichlorobenzyl)sulfinyl)-1,2,4-thiadiazole, 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole
| Molecular Formula | C9H5Cl3N2OS2 |
|---|---|
| Molecular Weight | 325.89 g/mol |
| LogP | 3.8061 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.8909 |
| Heavy Atoms | 17 |
| Complexity | 573.11865 |
Chemical Identifiers
| CAS Number | 845879-22-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CS(=O)C2=NC(=NS2)Cl)Cl)Cl |
Product Overview
3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole (CAS 845879-22-3), with molecular formula C9H5Cl3N2OS2 and molecular weight 325.89 g/mol. IUPAC: 3-chloro-5-[(3,4-dichlorophenyl)methylsulfinyl]-1,2,4-thiadiazole.
Chemical Property Profile of 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole
Property Insights of 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole
The XLogP value of 3.8061 indicates that 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole 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
Frequently Asked Questions
What is the CAS number of 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole?
The CAS number of 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole is 845879-22-3.
What is the molecular formula of 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole?
The molecular formula of 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole is C9H5Cl3N2OS2.
What is the molecular weight of 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole?
The molecular weight of 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole is 325.89 g/mol.
Where can I buy 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole?
You can request a quote for 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(3,4-dichlorobenzylsulfinyl)-1,2,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.