2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione (CAS 866039-82-9) is a chemical compound with molecular formula C14H25N3S and molecular weight 267.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(4-pentylcyclohexyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-(4-pentylcyclohexyl)-4H-1,2,4-triazole-3-thiol, 4-methyl-3-(4-pentylcyclohexyl)-1H-1,2,4-triazole-5-thione, 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione, 3-(4-amylcyclohexyl)-4-methyl-1H-1,2,4-triazole-5-thione, 4-methyl-5-(4-pentylcyclohexyl)-2H-1,2,4-triazole-3-thione
| Molecular Formula | C14H25N3S |
|---|---|
| Molecular Weight | 267.18 g/mol |
| LogP | 4.33179 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.1769 |
| Heavy Atoms | 18 |
| Complexity | 412.91876 |
Chemical Identifiers
| CAS Number | 866039-82-9 |
|---|---|
| SMILES | CCCCCC1CCC(CC1)C2=NNC(=S)N2C |
Product Overview
2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione (CAS 866039-82-9), with molecular formula C14H25N3S and molecular weight 267.18 g/mol. IUPAC: 4-methyl-3-(4-pentylcyclohexyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 4.33179 indicates that 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-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 33.61 Ų, 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 2 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 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione is 866039-82-9.
What is the molecular formula of 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione is C14H25N3S.
What is the molecular weight of 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione is 267.18 g/mol.
Where can I buy 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-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 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-4-methyl-5-(4-pentylcyclohexyl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.