![1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole structure](/static/products/695/695201-87-7.png)
1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole
TL;DR: 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole (CAS 695201-87-7) is a chemical compound with molecular formula C5H6N8O2S and molecular weight 242.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazole
Also Known As: A3328/0141305, 1-methyl-5-((1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)thio)-1H-tetrazole, 1-methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazole, 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole, 1-METHYL-5-[(1-METHYL-3-NITRO-1H-1,2,4-TRIAZOL-5-YL)SULFANYL]-1H-1,2,3,4-TETRAZOLE
| Molecular Formula | C5H6N8O2S |
|---|---|
| Molecular Weight | 242.03 g/mol |
| LogP | -0.602 |
| Topological Polar Surface Area | 117.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.03345 |
| Heavy Atoms | 16 |
| Complexity | 532.2711 |
Chemical Identifiers
| CAS Number | 695201-87-7 |
|---|---|
| SMILES | CN1C(=NC(=N1)[N+](=O)[O-])SC2=NN=NN2C |
Product Overview
1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole (CAS 695201-87-7), with molecular formula C5H6N8O2S and molecular weight 242.03 g/mol. IUPAC: 1-methyl-5-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)sulfanyl]tetrazole.
Chemical Property Profile of 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole
Property Insights of 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole
The XLogP value of -0.602 indicates that 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole. Following Lipinski's Rule of Five, 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole 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 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole?
The CAS number of 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole is 695201-87-7.
What is the molecular formula of 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole?
The molecular formula of 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole is C5H6N8O2S.
What is the molecular weight of 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole?
The molecular weight of 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole is 242.03 g/mol.
Where can I buy 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole?
You can request a quote for 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.