3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide
TL;DR: 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide (CAS 666208-66-8) is a chemical compound with molecular formula C14H19N3S and molecular weight 261.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-3-pentylsulfanyl-1H-1,2,4-triazole
Also Known As: 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide, 5-(4-methylphenyl)-3-pentylsulfanyl-1H-1,2,4-triazole, AN-465/41862213
| Molecular Formula | C14H19N3S |
|---|---|
| Molecular Weight | 261.13 g/mol |
| LogP | 4.06242 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.12997 |
| Heavy Atoms | 18 |
| Complexity | 476.03925 |
Chemical Identifiers
| CAS Number | 666208-66-8 |
|---|---|
| SMILES | CCCCCSC1=NNC(=N1)C2=CC=C(C=C2)C |
Product Overview
3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide (CAS 666208-66-8), with molecular formula C14H19N3S and molecular weight 261.13 g/mol. IUPAC: 5-(4-methylphenyl)-3-pentylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide
Property Insights of 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide
The XLogP value of 4.06242 indicates that 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide has 1 hydrogen bond donor(s) and 3 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 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide?
The CAS number of 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide is 666208-66-8.
What is the molecular formula of 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide?
The molecular formula of 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide is C14H19N3S.
What is the molecular weight of 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide?
The molecular weight of 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide is 261.13 g/mol.
Where can I buy 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide?
You can request a quote for 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl pentyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.