1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol
TL;DR: 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol (CAS 112628-44-1) 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-(2-fluorophenyl)-2H-tetrazole-5-thione
Also Known As: 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol, BAS 04891240, 1-(2-Fluorophenyl)-1H-tetrazole-5-thiol, 1-(2-fluorophenyl)-2H-tetrazole-5-thione, 1-(2-Fluorophenyl)-1H-tetrazole-5(4H)-thione
| Molecular Formula | C7H5FN4S |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0219 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 112628-44-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=S)N=NN2)F |
| InChIKey | NFPBMIICIXWSSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol (CAS 112628-44-1), with molecular formula C7H5FN4S and molecular weight 196.02 g/mol. IUPAC: 1-(2-fluorophenyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol
Property Insights of 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol. Following Lipinski's Rule of Five, 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol has 1 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 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol?
The CAS number of 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol is 112628-44-1.
What is the molecular formula of 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol is C7H5FN4S.
What is the molecular weight of 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol is 196.02 g/mol.
Where can I buy 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(2-Fluoro-phenyl)-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-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Fluoro-phenyl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.