1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione
TL;DR: 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione (CAS 14210-45-8) is a chemical compound with molecular formula C7H5N5O2S and molecular weight 223.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-2H-tetrazole-5-thione
Also Known As: 1-(4-Nitrophenyl)-1H-tetrazole-5-thiol, 1-(4-nitrophenyl)-2H-tetrazole-5-thione, 2-Tetrazoline-5-thione, 1-(p-nitrophenyl)-, 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione
| Molecular Formula | C7H5N5O2S |
|---|---|
| Molecular Weight | 223.02 g/mol |
| LogP | 1.23309 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.0164 |
| Heavy Atoms | 15 |
| Complexity | 543.00824 |
Chemical Identifiers
| CAS Number | 14210-45-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=S)N=NN2)[N+](=O)[O-] |
Product Overview
1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione (CAS 14210-45-8), with molecular formula C7H5N5O2S and molecular weight 223.02 g/mol. IUPAC: 1-(4-nitrophenyl)-2H-tetrazole-5-thione.
Chemical Property Profile of 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione
Property Insights of 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione
The XLogP value of 1.23309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione. The TPSA of 89.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione. Following Lipinski's Rule of Five, 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione 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
Frequently Asked Questions
What is the CAS number of 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
The CAS number of 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione is 14210-45-8.
What is the molecular formula of 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
The molecular formula of 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione is C7H5N5O2S.
What is the molecular weight of 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
The molecular weight of 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione is 223.02 g/mol.
Where can I buy 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
You can request a quote for 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-nitrophenyl)-1,2-dihydro-5H-tetrazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.