5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 126651-85-2) is a chemical compound with molecular formula C8H6BrN3S and molecular weight 254.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: Tyrosinase-IN-16, TAXIFOLIN, 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, TimTec1_003964, 3-methylpentyl phenyl sulfone
| Molecular Formula | C8H6BrN3S |
|---|---|
| Molecular Weight | 254.95 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.94658 |
| Heavy Atoms | 13 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 126651-85-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NC(=S)NN2 |
| InChIKey | ALETZOQAGIEADS-UHFFFAOYSA-N |
Product Overview
5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 126651-85-2), with molecular formula C8H6BrN3S and molecular weight 254.95 g/mol. IUPAC: 5-(3-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 1 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-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 126651-85-2.
What is the molecular formula of 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C8H6BrN3S.
What is the molecular weight of 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 254.95 g/mol.
Where can I buy 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(3-bromophenyl)-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-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.