4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 438231-45-9) is a chemical compound with molecular formula C11H15N3OS and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide, 3-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione, 5-(2-methyl(3-furyl))-4-(2-methylpropyl)-1,2,4-triazole-3-thiol, 5-(2-methylfuran-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H15N3OS |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 3.16511 |
| Topological Polar Surface Area | 46.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.09358 |
| Heavy Atoms | 16 |
| Complexity | 535.41724 |
Chemical Identifiers
| CAS Number | 438231-45-9 |
|---|---|
| SMILES | CC1=C(C=CO1)C2=NNC(=S)N2CC(C)C |
Product Overview
4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 438231-45-9), with molecular formula C11H15N3OS and molecular weight 237.09 g/mol. IUPAC: 3-(2-methylfuran-3-yl)-4-(2-methylpropyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 3.16511 indicates that 4-isobutyl-5-(2-methyl-3-furyl)-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, 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-isobutyl-5-(2-methyl-3-furyl)-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 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide is 438231-45-9.
What is the molecular formula of 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide is C11H15N3OS.
What is the molecular weight of 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide is 237.09 g/mol.
Where can I buy 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 4-isobutyl-5-(2-methyl-3-furyl)-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 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-isobutyl-5-(2-methyl-3-furyl)-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.