![4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/430/430450-22-9.png)
4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 430450-22-9) is a chemical compound with molecular formula C14H12N4S2 and molecular weight 300.05 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-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol, (E)-4-(((3-methylthiophen-2-yl)methylene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-{[(E)-(3-methyl-2-thienyl)methylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H12N4S2 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 3.85981 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.05035 |
| Heavy Atoms | 20 |
| Complexity | 795.9507 |
Chemical Identifiers
| CAS Number | 430450-22-9 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3 |
Product Overview
4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 430450-22-9), with molecular formula C14H12N4S2 and molecular weight 300.05 g/mol. IUPAC: 4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.85981 indicates that 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-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, 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-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-methyl-2-thienyl)methylene]amino}-5-phenyl-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 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is 430450-22-9.
What is the molecular formula of 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is C14H12N4S2.
What is the molecular weight of 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol is 300.05 g/mol.
Where can I buy 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-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-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-methyl-2-thienyl)methylene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.