1-(3-fluorophenyl)-1H-tetrazole-5-thiol
TL;DR: 1-(3-fluorophenyl)-1H-tetrazole-5-thiol (CAS 14210-42-5) is a chemical compound with molecular formula C7H5FN4S and molecular weight 196.0219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-fluorophenyl)-2H-tetrazole-5-thione
Also Known As: 1-(3-fluorophenyl)-1H-tetrazole-5-thiol, 1-(3-fluorophenyl)-2H-tetrazole-5-thione, 1-(3-fluorophenyl)-1H-1,2,3,4-tetrazole-5-thiol, 1-(3-Fluoro-phenyl)-1H-tetrazole-5-thiol, 5H-Tetrazole-5-thione, 1-(3-fluorophenyl)-1,2-dihydro-
Technical Specifications
| Molecular Formula | C7H5FN4S |
| Molecular Weight | 196.0219 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0219 Da |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
| SMILES | C1=CC(=CC(=C1)F)N2C(=S)N=NN2 |
| InChIKey | LJTAYQURXWOBHW-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol
Property Insights of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-fluorophenyl)-1H-tetrazole-5-thiol. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-fluorophenyl)-1H-tetrazole-5-thiol. Following Lipinski's Rule of Five, 1-(3-fluorophenyl)-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
What is the CAS number of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol?
The CAS number of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol is 14210-42-5.
What is the molecular formula of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol is C7H5FN4S.
What is the molecular weight of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(3-fluorophenyl)-1H-tetrazole-5-thiol is 196.0219 g/mol.
Where can I buy 1-(3-fluorophenyl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(3-fluorophenyl)-1H-tetrazole-5-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-fluorophenyl)-1H-tetrazole-5-thiol?
Yes, CoreyChem provides custom synthesis services for 1-(3-fluorophenyl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.