5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 694469-41-5) is a chemical compound with molecular formula C13H10ClN3OS and molecular weight 291.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol, 3-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 5-(2-chlorophenyl)-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol, 5-(2-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazole-3-thiol, 3-(2-chlorophenyl)-4-(2-furylmethyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C13H10ClN3OS |
|---|---|
| Molecular Weight | 291.02 g/mol |
| LogP | 3.90239 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.02332 |
| Heavy Atoms | 19 |
| Complexity | 745.34656 |
Chemical Identifiers
| CAS Number | 694469-41-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NNC(=S)N2CC3=CC=CO3)Cl |
Product Overview
5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 694469-41-5), with molecular formula C13H10ClN3OS and molecular weight 291.02 g/mol. IUPAC: 3-(2-chlorophenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.90239 indicates that 5-(2-chlorophenyl)-4-(furan-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 46.75 Ų, 5-(2-chlorophenyl)-4-(furan-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-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol 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 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 694469-41-5.
What is the molecular formula of 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is C13H10ClN3OS.
What is the molecular weight of 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol is 291.02 g/mol.
Where can I buy 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(2-chlorophenyl)-4-(furan-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-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-chlorophenyl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.