![5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/488/488095-57-4.png)
5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol (CAS 488095-57-4) is a chemical compound with molecular formula C12H9N5S2 and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-yl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol, 3-(3-pyridyl)-4-(2-thenylideneamino)-1H-1,2,4-triazole-5-thione, 3-pyridin-3-yl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, (E)-5-(pyridin-3-yl)-4-((thiophen-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3-pyridinyl)-4-(thiophen-2-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C12H9N5S2 |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 2.94639 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.02994 |
| Heavy Atoms | 19 |
| Complexity | 740.03503 |
Chemical Identifiers
| CAS Number | 488095-57-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NNC(=S)N2/N=C/C3=CC=CS3 |
Product Overview
5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol (CAS 488095-57-4), with molecular formula C12H9N5S2 and molecular weight 287.03 g/mol. IUPAC: 3-pyridin-3-yl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.94639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 58.86 Ų, 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-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-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 488095-57-4.
What is the molecular formula of 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol is C12H9N5S2.
What is the molecular weight of 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 287.03 g/mol.
Where can I buy 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-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-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-pyridinyl)-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.