![5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole structure](/static/products/4015/401589-65-9.webp)
5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole
TL;DR: 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole (CAS 401589-65-9) is a chemical compound with molecular formula C14H11N5O2S and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-nitrophenyl)methylsulfanyl]-1-phenyltetrazole
Also Known As: 1-Phenyl-5-(3-nitrobenzylthio)-1H-tetrazole, J3.486.766F, 5-[(3-nitrophenyl)methylsulfanyl]-1-phenyltetrazole, 5-[(3-nitrobenzyl)thio]-1-phenyl-1H-tetrazole, 5-[(3-nitrobenzyl)sulfanyl]-1-phenyl-1H-tetrazole
| Molecular Formula | C14H11N5O2S |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 2.8628 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.06335 |
| Heavy Atoms | 22 |
| Complexity | 790.692 |
Chemical Identifiers
| CAS Number | 401589-65-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole (CAS 401589-65-9), with molecular formula C14H11N5O2S and molecular weight 313.06 g/mol. IUPAC: 5-[(3-nitrophenyl)methylsulfanyl]-1-phenyltetrazole.
Chemical Property Profile of 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole
Property Insights of 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole
The XLogP value of 2.8628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole. Following Lipinski's Rule of Five, 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole has 0 hydrogen bond donor(s) and 6 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 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole?
The CAS number of 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole is 401589-65-9.
What is the molecular formula of 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole?
The molecular formula of 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole is C14H11N5O2S.
What is the molecular weight of 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole?
The molecular weight of 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole is 313.06 g/mol.
Where can I buy 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole?
You can request a quote for 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(3-Nitrophenyl)methylsulfanyl]-1-phenyltetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.