1-(4-fluorophenyl)-1H-tetrazole-5-thiol
TL;DR: 1-(4-fluorophenyl)-1H-tetrazole-5-thiol (CAS 1544-79-2) is a chemical compound with molecular formula C7H5FN4S and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2H-tetrazole-5-thione
Also Known As: 1-(4-fluorophenyl)-1H-tetrazole-5-thiol, 1-(4-fluorophenyl)-2H-tetrazole-5-thione, 1-(4-fluorophenyl)tetrazole-5-thiol, BAS 04455728, 1H-tetrazole-5-thiol, 1-(4-fluorophenyl)-
| Molecular Formula | C7H5FN4S |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 1.46399 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0219 |
| Heavy Atoms | 13 |
| Complexity | 457.84482 |
Chemical Identifiers
| CAS Number | 1544-79-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=S)N=NN2)F |
Product Overview
1-(4-fluorophenyl)-1H-tetrazole-5-thiol (CAS 1544-79-2), with molecular formula C7H5FN4S and molecular weight 196.02 g/mol. IUPAC: 1-(4-fluorophenyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(4-fluorophenyl)-1H-tetrazole-5-thiol
Property Insights of 1-(4-fluorophenyl)-1H-tetrazole-5-thiol
The XLogP value of 1.46399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorophenyl)-1H-tetrazole-5-thiol. With a topological polar surface area (TPSA) of 46.5 Ų, 1-(4-fluorophenyl)-1H-tetrazole-5-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-1H-tetrazole-5-thiol has 1 hydrogen bond donor(s) and 3 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 1-(4-fluorophenyl)-1H-tetrazole-5-thiol?
The CAS number of 1-(4-fluorophenyl)-1H-tetrazole-5-thiol is 1544-79-2.
What is the molecular formula of 1-(4-fluorophenyl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(4-fluorophenyl)-1H-tetrazole-5-thiol is C7H5FN4S.
What is the molecular weight of 1-(4-fluorophenyl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(4-fluorophenyl)-1H-tetrazole-5-thiol is 196.02 g/mol.
Where can I buy 1-(4-fluorophenyl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(4-fluorophenyl)-1H-tetrazole-5-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-1H-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.