3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione (CAS 537017-49-5) is a chemical compound with molecular formula C13H10BrN3OS and molecular weight 334.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromophenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione, 3-(4-bromophenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione, 3-(4-BROMOPHENYL)-4-[(FURAN-2-YL)METHYL]-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-5-THIONE, 5-(4-Bromophenyl)-4-(2-furanylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-bromophenyl)-4-(2-furylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C13H10BrN3OS |
|---|---|
| Molecular Weight | 334.97 g/mol |
| LogP | 4.01149 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.9728 |
| Heavy Atoms | 19 |
| Complexity | 728.09656 |
Chemical Identifiers
| CAS Number | 537017-49-5 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NNC2=S)C3=CC=C(C=C3)Br |
Product Overview
3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione (CAS 537017-49-5), with molecular formula C13H10BrN3OS and molecular weight 334.97 g/mol. IUPAC: 3-(4-bromophenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.01149 indicates that 3-(4-bromophenyl)-4-(2-furanylmethyl)-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 46.75 Ų, 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione 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-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione is 537017-49-5.
What is the molecular formula of 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione is C13H10BrN3OS.
What is the molecular weight of 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione is 334.97 g/mol.
Where can I buy 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(4-bromophenyl)-4-(2-furanylmethyl)-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-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromophenyl)-4-(2-furanylmethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.