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5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole
TL;DR: 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole (CAS 401577-38-6) is a chemical compound with molecular formula C14H10Cl2N4S and molecular weight 336.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,6-dichlorophenyl)methylsulfanyl]-1-phenyltetrazole
Also Known As: 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole, 5-[(2,6-dichlorophenyl)methylsulfanyl]-1-phenyltetrazole, 5-[(2,6-dichlorophenyl)methylthio]-1-phenyl-1,2,3,4-tetraazole
| Molecular Formula | C14H10Cl2N4S |
|---|---|
| Molecular Weight | 336.00 g/mol |
| LogP | 4.2614 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.00034 |
| Heavy Atoms | 21 |
| Complexity | 725.48975 |
Chemical Identifiers
| CAS Number | 401577-38-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole (CAS 401577-38-6), with molecular formula C14H10Cl2N4S and molecular weight 336.00 g/mol. IUPAC: 5-[(2,6-dichlorophenyl)methylsulfanyl]-1-phenyltetrazole.
Chemical Property Profile of 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole
Property Insights of 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole
The XLogP value of 4.2614 indicates that 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole 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 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
The CAS number of 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole is 401577-38-6.
What is the molecular formula of 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
The molecular formula of 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole is C14H10Cl2N4S.
What is the molecular weight of 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
The molecular weight of 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole is 336.00 g/mol.
Where can I buy 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
You can request a quote for 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2,6-dichlorobenzyl)sulfanyl]-1-phenyl-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.