5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 565209-29-2) is a chemical compound with molecular formula C15H16N4OS and molecular weight 300.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol, 5-(1H-Indol-3-yl)-4-(tetrahydro-furan-2-ylmethyl)-4H-[1,2,4]triazole-3-thiol, 5-(1H-indol-3-yl)-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol, 3-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 2,4-Dihydro-5-(1H-indol-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H16N4OS |
|---|---|
| Molecular Weight | 300.10 g/mol |
| LogP | 3.26799 |
| Topological Polar Surface Area | 58.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.1045 |
| Heavy Atoms | 21 |
| Complexity | 825.43146 |
Chemical Identifiers
| CAS Number | 565209-29-2 |
|---|---|
| SMILES | C1CC(OC1)CN2C(=NNC2=S)C3=CNC4=CC=CC=C43 |
Product Overview
5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 565209-29-2), with molecular formula C15H16N4OS and molecular weight 300.10 g/mol. IUPAC: 3-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.26799 indicates that 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-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 58.63 Ų, 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol has 2 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 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 565209-29-2.
What is the molecular formula of 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is C15H16N4OS.
What is the molecular weight of 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 300.10 g/mol.
Where can I buy 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-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 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-indol-3-yl)-4-(oxolan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.