5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 406184-39-2) is a chemical compound with molecular formula C9H8BrN3OS and molecular weight 284.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromo-2-hydroxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(5-BROMO-2-HYDROXYPHENYL)-4-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE, CHEMBRDG-BB 6941570, 3-Phenyl-3-(trifluoromethyl)-diaziridine, 3-(5-Bromo-2-hydroxyphenyl)-4-methyl-1H-1,2,4-triazole-5(4H)-thione, 3-(5-bromo-2-hydroxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C9H8BrN3OS |
|---|---|
| Molecular Weight | 284.96 g/mol |
| LogP | 2.61279 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.95715 |
| Heavy Atoms | 15 |
| Complexity | 560.72534 |
Chemical Identifiers
| CAS Number | 406184-39-2 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=C(C=CC(=C2)Br)O |
Product Overview
5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 406184-39-2), with molecular formula C9H8BrN3OS and molecular weight 284.96 g/mol. IUPAC: 3-(5-bromo-2-hydroxyphenyl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.61279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 53.84 Ų, 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 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-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 406184-39-2.
What is the molecular formula of 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C9H8BrN3OS.
What is the molecular weight of 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 284.96 g/mol.
Where can I buy 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 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-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Bromo-2-hydroxyphenyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.