![5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole structure](/static/products/4614/461432-01-9.webp)
5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
TL;DR: 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole (CAS 461432-01-9) is a chemical compound with molecular formula C10H8N8O2S and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
Also Known As: AO-080/41269970, A3679/0156035, 5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole, 5-({3-nitro-1-methyl-1H-1,2,4-triazol-5-yl}sulfanyl)-1-phenyl-1H-tetraazole, 5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1-phenyl-1H-tetrazole
| Molecular Formula | C10H8N8O2S |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 0.8502 |
| Topological Polar Surface Area | 117.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.0491 |
| Heavy Atoms | 21 |
| Complexity | 783.46893 |
Chemical Identifiers
| CAS Number | 461432-01-9 |
|---|---|
| SMILES | CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN=NN2C3=CC=CC=C3 |
Product Overview
5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole (CAS 461432-01-9), with molecular formula C10H8N8O2S and molecular weight 304.05 g/mol. IUPAC: 5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole.
Chemical Property Profile of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
Property Insights of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole
The XLogP value of 0.8502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole. The TPSA of 117.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole. Following Lipinski's Rule of Five, 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole has 0 hydrogen bond donor(s) and 8 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-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole?
The CAS number of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole is 461432-01-9.
What is the molecular formula of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole?
The molecular formula of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole is C10H8N8O2S.
What is the molecular weight of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole?
The molecular weight of 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole is 304.05 g/mol.
Where can I buy 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole?
You can request a quote for 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-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-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-Methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]-1-phenyltetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.