5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol (CAS 681834-69-5) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: A3020/0127330, 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol, 5-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-1,2,4-triazole-3-thiol, 3-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 5-(4-Nitro-phenyl)-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 2.69489 |
| Topological Polar Surface Area | 85.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 700.9516 |
Chemical Identifiers
| CAS Number | 681834-69-5 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=NNC2=S)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol (CAS 681834-69-5), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: 3-(4-nitrophenyl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.69489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 85.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol is 681834-69-5.
What is the molecular formula of 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol is C13H14N4O3S.
What is the molecular weight of 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol is 306.08 g/mol.
Where can I buy 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Nitrophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.