4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 613248-17-2) is a chemical compound with molecular formula C13H11N5S2 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(((3-Methylthiophen-2-yl)methylene)amino)-3-(pyridin-2-yl)-1H-1,2,4-triazole-5(4H)-thione, 4-{[1-(3-Methyl-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-pyridin-2-yl-4H-[1,2,4]triazole-3-thiol, 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-pyridyl)-1,2,4-triazole-3-thi ol, 4-[(3-methyl-2-thienyl)methyleneamino]-3-(2-pyridyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H11N5S2 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.25481 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0456 |
| Heavy Atoms | 20 |
| Complexity | 797.53827 |
Chemical Identifiers
| CAS Number | 613248-17-2 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3 |
Product Overview
4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 613248-17-2), with molecular formula C13H11N5S2 and molecular weight 301.05 g/mol. IUPAC: 4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.25481 indicates that 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.86 Ų, 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-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 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 613248-17-2.
What is the molecular formula of 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is C13H11N5S2.
What is the molecular weight of 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol is 301.05 g/mol.
Where can I buy 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-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 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(((3-ME-2-Thienyl)methylene)amino)-5-(2-pyridinyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.