2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole
TL;DR: 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole (CAS 613226-41-8) is a chemical compound with molecular formula C17H16N2OS3 and molecular weight 360.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
Also Known As: 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole, 2-(BENZYLSULFANYL)-5-((4-METHOXYBENZYL)SULFANYL)-1,3,4-THIADIAZOLE, 2-(benzylsulfanyl)-5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazole, 2-benzylsulfanyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole, 2-(benzylsulfanyl)-5-{[(4-methoxyphenyl)methyl]sulfanyl}-1,3,4-thiadiazole
| Molecular Formula | C17H16N2OS3 |
|---|---|
| Molecular Weight | 360.04 g/mol |
| LogP | 5.1313 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 360.04248 |
| Heavy Atoms | 23 |
| Complexity | 729.10913 |
Chemical Identifiers
| CAS Number | 613226-41-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=CC=C3 |
Product Overview
2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole (CAS 613226-41-8), with molecular formula C17H16N2OS3 and molecular weight 360.04 g/mol. IUPAC: 2-benzylsulfanyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole.
Chemical Property Profile of 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole
Property Insights of 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole
The XLogP value of 5.1313 indicates that 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-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-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-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-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole?
The CAS number of 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole is 613226-41-8.
What is the molecular formula of 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole?
The molecular formula of 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole is C17H16N2OS3.
What is the molecular weight of 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole?
The molecular weight of 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole is 360.04 g/mol.
Where can I buy 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole?
You can request a quote for 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-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-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylthio)-5-((4-methoxybenzyl)thio)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.