![5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol structure](/static/products/4188/418800-56-3.webp)
5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol
TL;DR: 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol (CAS 418800-56-3) is a chemical compound with molecular formula C13H10N4S2 and molecular weight 286.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol, 3-phenyl-4-(2-thenylideneamino)-1H-1,2,4-triazole-5-thione, 3-phenyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, 5-phenyl-4-{[(E)-thiophen-2-ylmethylidene]amino}-4H-1,2,4-triazole-3-thiol, 3-phenyl-4-(thiophen-2-ylmethylideneamino)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H10N4S2 |
|---|---|
| Molecular Weight | 286.03 g/mol |
| LogP | 3.55139 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.0347 |
| Heavy Atoms | 19 |
| Complexity | 738.55853 |
Chemical Identifiers
| CAS Number | 418800-56-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CS3 |
Product Overview
5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol (CAS 418800-56-3), with molecular formula C13H10N4S2 and molecular weight 286.03 g/mol. IUPAC: 3-phenyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol
Property Insights of 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.55139 indicates that 5-phenyl-4-[(2-thienylmethylene)amino]-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 45.97 Ų, 5-phenyl-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-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 418800-56-3.
What is the molecular formula of 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol is C13H10N4S2.
What is the molecular weight of 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol is 286.03 g/mol.
Where can I buy 5-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-phenyl-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-phenyl-4-[(2-thienylmethylene)amino]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-phenyl-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.