4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole
TL;DR: 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole (CAS 146173-56-0) is a chemical compound with molecular formula C11H7N5O4S and molecular weight 305.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-Nffmt, 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole, 3-(furan-2-yl)-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 3H-1,2,4-Triazole-3-thione, 5-(2-furanyl)-2,4-dihydro-4-(((5-nitro-2-furanyl)methylene)amino)-, RefChem:97293
| Molecular Formula | C11H7N5O4S |
|---|---|
| Molecular Weight | 305.02 g/mol |
| LogP | 2.58409 |
| Topological Polar Surface Area | 115.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.02188 |
| Heavy Atoms | 21 |
| Complexity | 857.44714 |
Chemical Identifiers
| CAS Number | 146173-56-0 |
|---|---|
| SMILES | C1=COC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(O3)[N+](=O)[O-] |
Product Overview
4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole (CAS 146173-56-0), with molecular formula C11H7N5O4S and molecular weight 305.02 g/mol. IUPAC: 3-(furan-2-yl)-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole
Property Insights of 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole
The XLogP value of 2.58409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole. The TPSA of 115.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole. Following Lipinski's Rule of Five, 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole has 1 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 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole?
The CAS number of 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole is 146173-56-0.
What is the molecular formula of 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole?
The molecular formula of 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole is C11H7N5O4S.
What is the molecular weight of 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole?
The molecular weight of 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole is 305.02 g/mol.
Where can I buy 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole?
You can request a quote for 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Nitrofurfurylideneamino)-3-(furan-2)-5-mercapto-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.