4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 488795-46-6) is a chemical compound with molecular formula C14H13N3OS2 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: AN-919/40843413, A3080/0130248, 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-1,2,4-triazole-3-thiol, 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C14H13N3OS2 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 3.59079 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.05002 |
| Heavy Atoms | 20 |
| Complexity | 758.82947 |
Chemical Identifiers
| CAS Number | 488795-46-6 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NNC2=S)CC3=CC=CS3 |
Product Overview
4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 488795-46-6), with molecular formula C14H13N3OS2 and molecular weight 303.05 g/mol. IUPAC: 4-(2-methoxyphenyl)-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 3.59079 indicates that 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 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-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 488795-46-6.
What is the molecular formula of 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C14H13N3OS2.
What is the molecular weight of 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 303.05 g/mol.
Where can I buy 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methoxyphenyl)-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.