4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide
TL;DR: 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide (CAS 353256-99-2) is a chemical compound with molecular formula C13H9FN4S and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)sulfanyl-1-phenyltetrazole
Also Known As: 5-(4-fluorophenyl)sulfanyl-1-phenyltetrazole, 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide, AI-204/31688024, AI-204/31688044
| Molecular Formula | C13H9FN4S |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 2.9526 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0532 |
| Heavy Atoms | 19 |
| Complexity | 666.62494 |
Chemical Identifiers
| CAS Number | 353256-99-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SC3=CC=C(C=C3)F |
Product Overview
4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide (CAS 353256-99-2), with molecular formula C13H9FN4S and molecular weight 272.05 g/mol. IUPAC: 5-(4-fluorophenyl)sulfanyl-1-phenyltetrazole.
Chemical Property Profile of 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide
Property Insights of 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide
The XLogP value of 2.9526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide. With a topological polar surface area (TPSA) of 43.6 Ų, 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide 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 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide?
The CAS number of 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide is 353256-99-2.
What is the molecular formula of 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide?
The molecular formula of 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide is C13H9FN4S.
What is the molecular weight of 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide?
The molecular weight of 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide is 272.05 g/mol.
Where can I buy 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide?
You can request a quote for 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-fluorophenyl 1-phenyl-1H-tetraazol-5-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.