1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol
TL;DR: 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol (CAS 114968-12-6) is a chemical compound with molecular formula C7H4F2N4S and molecular weight 214.01247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,4-difluorophenyl)-2H-tetrazole-5-thione
Also Known As: 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol, 1-(2,4-difluorophenyl)-2H-tetrazole-5-thione, 1-(2,4-difluorophenyl)-1,2,3,4-tetraazole-5-thiol
Technical Specifications
| Molecular Formula | C7H4F2N4S |
| Molecular Weight | 214.01247 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.01247 Da |
| Heavy Atoms | 14 |
| Complexity | 272.0 |
| SMILES | C1=CC(=C(C=C1F)F)N2C(=S)N=NN2 |
| InChIKey | JZGNYSZUULVQBC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol
Property Insights of 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol
The XLogP value of 3.0 indicates that 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol. Following Lipinski's Rule of Five, 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol has 1 hydrogen bond donor(s) and 5 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-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol?
The CAS number of 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol is 114968-12-6.
What is the molecular formula of 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol?
The molecular formula of 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol is C7H4F2N4S.
What is the molecular weight of 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol?
The molecular weight of 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol is 214.01247 g/mol.
Where can I buy 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol?
You can request a quote for 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol?
Yes, CoreyChem provides custom synthesis services for 1-(2,4-Difluorophenyl)-1H-tetrazole-5-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.