3H-533S
TL;DR: 3H-533S (CAS 338409-84-0) is a chemical compound with molecular formula C15H6Cl2F3N3O2S2 and molecular weight 450.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthiadiazole
Also Known As: 3H-533S, 4-(2,4-dichlorophenyl)-1,2,3-thiadiazol-5-yl 2-nitro-4-(trifluoromethyl)phenyl sulfide, 4-(2,4-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthiadiazole, 4-(2,4-dichlorophenyl)-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-1,2,3-thiadiazole, 4-(2,4-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-thiadiazole
| Molecular Formula | C15H6Cl2F3N3O2S2 |
|---|---|
| Molecular Weight | 450.92 g/mol |
| LogP | 6.5901 |
| Topological Polar Surface Area | 68.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.92307 |
| Heavy Atoms | 27 |
| Complexity | 1027.782 |
Chemical Identifiers
| CAS Number | 338409-84-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=C(N=NS2)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
3H-533S (CAS 338409-84-0), with molecular formula C15H6Cl2F3N3O2S2 and molecular weight 450.92 g/mol. IUPAC: 4-(2,4-dichlorophenyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylthiadiazole.
Chemical Property Profile of 3H-533S
Property Insights of 3H-533S
The XLogP value of 6.5901 indicates that 3H-533S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-533S. Following Lipinski's Rule of Five, 3H-533S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3H-533S?
The CAS number of 3H-533S is 338409-84-0.
What is the molecular formula of 3H-533S?
The molecular formula of 3H-533S is C15H6Cl2F3N3O2S2.
What is the molecular weight of 3H-533S?
The molecular weight of 3H-533S is 450.92 g/mol.
Where can I buy 3H-533S?
You can request a quote for 3H-533S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-533S?
Yes, KEHONG BIO provides custom synthesis services for 3H-533S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.