![N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine structure](/static/products/828/828279-45-4.png)
N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine
TL;DR: N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine (CAS 828279-45-4) is a chemical compound with molecular formula C11H9F2N5O2S and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine
Also Known As: N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine, (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine, 3-(difluoromethyl)-5-(methylsulfanyl)-N-[(E)-(3-nitrophenyl)methylidene]-4H-1,2,4-triazol-4-amine, N-[3-(DIFLUOROMETHYL)-5-(METHYLSULFANYL)-4H-1,2,4-TRIAZOL-4-YL]-N-[(E)-1-(3-NITROPHENYL)METHYLIDENE]AMINE
| Molecular Formula | C11H9F2N5O2S |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 2.728 |
| Topological Polar Surface Area | 86.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0445 |
| Heavy Atoms | 21 |
| Complexity | 689.0032 |
Chemical Identifiers
| CAS Number | 828279-45-4 |
|---|---|
| SMILES | CSC1=NN=C(N1/N=C/C2=CC(=CC=C2)[N+](=O)[O-])C(F)F |
Product Overview
N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine (CAS 828279-45-4), with molecular formula C11H9F2N5O2S and molecular weight 313.04 g/mol. IUPAC: (E)-N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine.
Chemical Property Profile of N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine
Property Insights of N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine
The XLogP value of 2.728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine. The TPSA of 86.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine. Following Lipinski's Rule of Five, N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine 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 N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine?
The CAS number of N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine is 828279-45-4.
What is the molecular formula of N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine?
The molecular formula of N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine is C11H9F2N5O2S.
What is the molecular weight of N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine?
The molecular weight of N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine is 313.04 g/mol.
Where can I buy N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine?
You can request a quote for N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(difluoromethyl)-5-methylsulfanyl-1,2,4-triazol-4-yl]-1-(3-nitrophenyl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.