![2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole structure](/static/products/4991/499103-91-2.webp)
2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole
TL;DR: 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole (CAS 499103-91-2) is a chemical compound with molecular formula C18H15F3N2OS3 and molecular weight 428.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylsulfanyl]-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazole
Also Known As: 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole, 2-[(4-methoxyphenyl)methylsulfanyl]-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazole, 2-((4-methoxybenzyl)thio)-5-((3-(trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole, 2-{[(4-methoxyphenyl)methyl]sulfanyl}-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazole, 4-methoxy-1-[(5-{[3-(trifluoromethyl)phenyl]methylthio}(1,3,4-thiadiazol-2-ylt hio))methyl]benzene
| Molecular Formula | C18H15F3N2OS3 |
|---|---|
| Molecular Weight | 428.03 g/mol |
| LogP | 6.1501 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.02985 |
| Heavy Atoms | 27 |
| Complexity | 882.0584 |
Chemical Identifiers
| CAS Number | 499103-91-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC(=CC=C3)C(F)(F)F |
Product Overview
2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole (CAS 499103-91-2), with molecular formula C18H15F3N2OS3 and molecular weight 428.03 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylsulfanyl]-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole
Property Insights of 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole
The XLogP value of 6.1501 indicates that 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole 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 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole?
The CAS number of 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole is 499103-91-2.
What is the molecular formula of 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole?
The molecular formula of 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole is C18H15F3N2OS3.
What is the molecular weight of 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole?
The molecular weight of 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole is 428.03 g/mol.
Where can I buy 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole?
You can request a quote for 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-methoxybenzyl)sulfanyl]-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.