5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole
TL;DR: 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole (CAS 930459-85-1) is a chemical compound with molecular formula C8H6BrN5O2S and molecular weight 314.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-bromo-2-nitrophenyl)sulfanyl-1-methyltetrazole
Also Known As: AB00766379-01, 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole, 5-(4-bromo-2-nitrophenyl)sulfanyl-1-methyltetrazole
| Molecular Formula | C8H6BrN5O2S |
|---|---|
| Molecular Weight | 314.94 g/mol |
| LogP | 2.032 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.94257 |
| Heavy Atoms | 17 |
| Complexity | 572.7932 |
Chemical Identifiers
| CAS Number | 930459-85-1 |
|---|---|
| SMILES | CN1C(=NN=N1)SC2=C(C=C(C=C2)Br)[N+](=O)[O-] |
Product Overview
5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole (CAS 930459-85-1), with molecular formula C8H6BrN5O2S and molecular weight 314.94 g/mol. IUPAC: 5-(4-bromo-2-nitrophenyl)sulfanyl-1-methyltetrazole.
Chemical Property Profile of 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole
Property Insights of 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole
The XLogP value of 2.032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole. Following Lipinski's Rule of Five, 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole has 0 hydrogen bond donor(s) and 6 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-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole?
The CAS number of 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole is 930459-85-1.
What is the molecular formula of 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole?
The molecular formula of 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole is C8H6BrN5O2S.
What is the molecular weight of 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole?
The molecular weight of 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole is 314.94 g/mol.
Where can I buy 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole?
You can request a quote for 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-((4-Bromo-2-nitrophenyl)thio)-1-methyl-1h-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.