![3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine structure](/static/products/7716/77164-82-0.webp)
3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine
TL;DR: 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine (CAS 77164-82-0) is a chemical compound with molecular formula C14H12N6O2S and molecular weight 328.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazine
Also Known As: 3-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-5-phenyl-1,2,4, 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine, 3-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazine
| Molecular Formula | C14H12N6O2S |
|---|---|
| Molecular Weight | 328.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.07425 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 77164-82-0 |
|---|---|
| SMILES | CC1=NC(=C(N1C)SC2=NC(=CN=N2)C3=CC=CC=C3)[N+](=O)[O-] |
| InChIKey | STFQHMUNJXJNGH-UHFFFAOYSA-N |
Product Overview
3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine (CAS 77164-82-0), with molecular formula C14H12N6O2S and molecular weight 328.07 g/mol. IUPAC: 3-(2,3-dimethyl-5-nitroimidazol-4-yl)sulfanyl-5-phenyl-1,2,4-triazine.
Chemical Property Profile of 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine
Property Insights of 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine. Following Lipinski's Rule of Five, 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine has 0 hydrogen bond donor(s) and 7 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 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine?
The CAS number of 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine is 77164-82-0.
What is the molecular formula of 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine?
The molecular formula of 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine is C14H12N6O2S.
What is the molecular weight of 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine?
The molecular weight of 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine is 328.07 g/mol.
Where can I buy 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine?
You can request a quote for 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,2-Dimethyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-phenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.