3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione (CAS 7166-91-8) is a chemical compound with molecular formula C21H27N3S and molecular weight 353.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione, 5-(1-adamantylmethyl)-4-(2-ethylphenyl)-2H-1,2,4-triazole-3-thione, 4-(2-ethylphenyl)-5-(tricyclo[3.3.1.1~3,7~]dec-1-ylmethyl)-4H-1,2,4-triazole-3-thiol, 5-[(Adamantan-1-yl)methyl]-4-(2-ethylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C21H27N3S |
|---|---|
| Molecular Weight | 353.19 g/mol |
| LogP | 5.25119 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.19257 |
| Heavy Atoms | 25 |
| Complexity | 811.537 |
Chemical Identifiers
| CAS Number | 7166-91-8 |
|---|---|
| SMILES | CCC1=CC=CC=C1N2C(=NNC2=S)CC34CC5CC(C3)CC(C5)C4 |
Product Overview
3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione (CAS 7166-91-8), with molecular formula C21H27N3S and molecular weight 353.19 g/mol. IUPAC: 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 5.25119 indicates that 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione is 7166-91-8.
What is the molecular formula of 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione is C21H27N3S.
What is the molecular weight of 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione is 353.19 g/mol.
Where can I buy 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-adamantylmethyl)-4-(2-ethylphenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.