![4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol structure](/static/products/2216/221641-79-8.webp)
4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol
TL;DR: 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol (CAS 221641-79-8) is a chemical compound with molecular formula C23H28N2OS2 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,6-ditert-butylphenol
Also Known As: 6P-533S, J1.100.138F, 4-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol, 4-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di-tert-butylphenol, 4-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,6-ditert-butylphenol
| Molecular Formula | C23H28N2OS2 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 6.798 |
| Topological Polar Surface Area | 46.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1643 |
| Heavy Atoms | 28 |
| Complexity | 915.71906 |
Chemical Identifiers
| CAS Number | 221641-79-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN=C(S2)SCC3=CC=CC=C3 |
Product Overview
4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol (CAS 221641-79-8), with molecular formula C23H28N2OS2 and molecular weight 412.16 g/mol. IUPAC: 4-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2,6-ditert-butylphenol.
Chemical Property Profile of 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol
Property Insights of 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol
The XLogP value of 6.798 indicates that 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.01 Ų, 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol?
The CAS number of 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol is 221641-79-8.
What is the molecular formula of 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol?
The molecular formula of 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol is C23H28N2OS2.
What is the molecular weight of 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol?
The molecular weight of 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol is 412.16 g/mol.
Where can I buy 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol?
You can request a quote for 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-(Benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-2,6-di(tert-butyl)benzenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.