![4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol structure](/static/products/587/587012-25-7.png)
4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol
TL;DR: 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol (CAS 587012-25-7) is a chemical compound with molecular formula C14H11FN4S2 and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-fluorophenyl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol, (E)-5-(2-fluorophenyl)-4-(((3-methylthiophen-2-yl)methylene)amino)-4H-1,2,4-triazole-3-thiol, 3-(2-fluorophenyl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(2-fluorophenyl)-4-{[(E)-(3-methylthiophen-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C14H11FN4S2 |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 3.99891 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.04092 |
| Heavy Atoms | 21 |
| Complexity | 859.7387 |
Chemical Identifiers
| CAS Number | 587012-25-7 |
|---|---|
| SMILES | CC1=C(SC=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3F |
Product Overview
4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol (CAS 587012-25-7), with molecular formula C14H11FN4S2 and molecular weight 318.04 g/mol. IUPAC: 3-(2-fluorophenyl)-4-[(E)-(3-methylthiophen-2-yl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol
Property Insights of 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol
The XLogP value of 3.99891 indicates that 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-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-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-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-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol?
The CAS number of 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol is 587012-25-7.
What is the molecular formula of 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol?
The molecular formula of 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol is C14H11FN4S2.
What is the molecular weight of 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol?
The molecular weight of 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol is 318.04 g/mol.
Where can I buy 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol?
You can request a quote for 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-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-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-2-(3-methyl(2-thienyl))-1-azavinyl]-5-(2-fluorophenyl)-1,2,4-triazole- 3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.