C11H9BrN6S2
TL;DR: C11H9BrN6S2 (CAS 1035965-61-7) is a chemical compound with molecular formula C11H9BrN6S2 and molecular weight 367.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-(((5-bromothiophen-2-yl)methylene)amino)-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(5-bromo(2-thienyl))-1-azavinyl]-5-(3-methylpyrazol-5-yl)-1,2,4-tria zole-3-thiol, 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(5-bromothiophen-2-yl)methylidene]amino}-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazole-3-thiol, 4-{[1-(5-Bromo-thiophen-2-yl)-meth-(E)-ylidene]-amino}-5-(5-methyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol
| Molecular Formula | C11H9BrN6S2 |
|---|---|
| Molecular Weight | 367.95 g/mol |
| LogP | 3.34541 |
| Topological Polar Surface Area | 74.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.95135 |
| Heavy Atoms | 20 |
| Complexity | 823.9533 |
Chemical Identifiers
| CAS Number | 1035965-61-7 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NNC(=S)N2/N=C/C3=CC=C(S3)Br |
Product Overview
C11H9BrN6S2 (CAS 1035965-61-7), with molecular formula C11H9BrN6S2 and molecular weight 367.95 g/mol. IUPAC: 4-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(5-methyl-1H-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C11H9BrN6S2
Property Insights of C11H9BrN6S2
The XLogP value of 3.34541 indicates that C11H9BrN6S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.65 Ų falls within the moderate polarity range, balancing permeability and solubility for C11H9BrN6S2. Following Lipinski's Rule of Five, C11H9BrN6S2 has 2 hydrogen bond donor(s) and 5 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 C11H9BrN6S2?
The CAS number of C11H9BrN6S2 is 1035965-61-7.
What is the molecular formula of C11H9BrN6S2?
The molecular formula of C11H9BrN6S2 is C11H9BrN6S2.
What is the molecular weight of C11H9BrN6S2?
The molecular weight of C11H9BrN6S2 is 367.95 g/mol.
Where can I buy C11H9BrN6S2?
You can request a quote for C11H9BrN6S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C11H9BrN6S2?
Yes, KEHONG BIO provides custom synthesis services for C11H9BrN6S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.