![3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine structure](/static/products/7109/710982-82-4.webp)
3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine
TL;DR: 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine (CAS 710982-82-4) is a chemical compound with molecular formula C16H12BrN3S and molecular weight 356.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazine
Also Known As: 3-[(3-bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine, 3-[(3-bromophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazine, 3-[(3-bromophenyl)methylthio]-6-phenyl-1,2,4-triazine, 3-{[(3-BROMOPHENYL)METHYL]SULFANYL}-6-PHENYL-1,2,4-TRIAZINE
| Molecular Formula | C16H12BrN3S |
|---|---|
| Molecular Weight | 356.99 g/mol |
| LogP | 4.5934 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.99353 |
| Heavy Atoms | 21 |
| Complexity | 717.1016 |
Chemical Identifiers
| CAS Number | 710982-82-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN=C(N=N2)SCC3=CC(=CC=C3)Br |
Product Overview
3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine (CAS 710982-82-4), with molecular formula C16H12BrN3S and molecular weight 356.99 g/mol. IUPAC: 3-[(3-bromophenyl)methylsulfanyl]-6-phenyl-1,2,4-triazine.
Chemical Property Profile of 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine
Property Insights of 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine
The XLogP value of 4.5934 indicates that 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine has 0 hydrogen bond donor(s) and 4 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-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
The CAS number of 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine is 710982-82-4.
What is the molecular formula of 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
The molecular formula of 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine is C16H12BrN3S.
What is the molecular weight of 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
The molecular weight of 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine is 356.99 g/mol.
Where can I buy 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
You can request a quote for 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Bromobenzyl)sulfanyl]-6-phenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.