5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 438232-70-3) is a chemical compound with molecular formula C10H12BrN3OS and molecular weight 300.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromofuran-2-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide, 3-(5-bromofuran-2-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione, 3-(5-bromo-2-furyl)-4-isobutyl-1H-1,2,4-triazole-5-thione, 5-(5-bromo(2-furyl))-4-(2-methylpropyl)-1,2,4-triazole-3-thiol, 3-(5-bromanylfuran-2-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C10H12BrN3OS |
|---|---|
| Molecular Weight | 300.99 g/mol |
| LogP | 3.61919 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.98846 |
| Heavy Atoms | 16 |
| Complexity | 540.2517 |
Chemical Identifiers
| CAS Number | 438232-70-3 |
|---|---|
| SMILES | CC(C)CN1C(=NNC1=S)C2=CC=C(O2)Br |
Product Overview
5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 438232-70-3), with molecular formula C10H12BrN3OS and molecular weight 300.99 g/mol. IUPAC: 3-(5-bromofuran-2-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 3.61919 indicates that 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide 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-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide 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-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide is 438232-70-3.
What is the molecular formula of 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide is C10H12BrN3OS.
What is the molecular weight of 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide is 300.99 g/mol.
Where can I buy 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-bromo-2-furyl)-4-isobutyl-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.