5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole
TL;DR: 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole (CAS 331963-96-3) is a chemical compound with molecular formula C13H16N4S and molecular weight 260.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyclohexylsulfanyl-1-phenyltetrazole
Also Known As: 5-cyclohexylsulfanyl-1-phenyltetrazole, 1-Phenyl-5-(cyclohexylthio)-1H-tetrazole, 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole, J3.308.539G, 5-(cyclohexylsulfanyl)-1-phenyl-1H-1,2,3,4-tetrazole
| Molecular Formula | C13H16N4S |
|---|---|
| Molecular Weight | 260.11 g/mol |
| LogP | 3.0871 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.10956 |
| Heavy Atoms | 18 |
| Complexity | 490.70218 |
Chemical Identifiers
| CAS Number | 331963-96-3 |
|---|---|
| SMILES | C1CCC(CC1)SC2=NN=NN2C3=CC=CC=C3 |
Product Overview
5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole (CAS 331963-96-3), with molecular formula C13H16N4S and molecular weight 260.11 g/mol. IUPAC: 5-cyclohexylsulfanyl-1-phenyltetrazole.
Chemical Property Profile of 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole
Property Insights of 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole
The XLogP value of 3.0871 indicates that 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole 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-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole 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-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole?
The CAS number of 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole is 331963-96-3.
What is the molecular formula of 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole?
The molecular formula of 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole is C13H16N4S.
What is the molecular weight of 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole?
The molecular weight of 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole is 260.11 g/mol.
Where can I buy 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole?
You can request a quote for 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(cyclohexylsulfanyl)-1-phenyl-1H-tetraazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.