4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid
TL;DR: 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid (CAS 565194-76-5) is a chemical compound with molecular formula C9H7N5O4S and molecular weight 281.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoic acid
Also Known As: 4-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitrobenzoic acid, 4-(1-Methyl-1H-tetrazol-5-ylsulfanyl)-3-nitro-benzoic acid, 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoic acid, 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzoic Acid, 4-[(1-Methyl-1H-tetrazol-5-yl)thio]-3-nitrobenzoic acid
| Molecular Formula | C9H7N5O4S |
|---|---|
| Molecular Weight | 281.02 g/mol |
| LogP | 0.9677 |
| Topological Polar Surface Area | 124.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.02188 |
| Heavy Atoms | 19 |
| Complexity | 655.8096 |
Chemical Identifiers
| CAS Number | 565194-76-5 |
|---|---|
| SMILES | CN1C(=NN=N1)SC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid (CAS 565194-76-5), with molecular formula C9H7N5O4S and molecular weight 281.02 g/mol. IUPAC: 4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzoic acid.
Chemical Property Profile of 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid
Property Insights of 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid
The XLogP value of 0.9677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid. The TPSA of 124.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 7 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 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid?
The CAS number of 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid is 565194-76-5.
What is the molecular formula of 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid?
The molecular formula of 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid is C9H7N5O4S.
What is the molecular weight of 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid?
The molecular weight of 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid is 281.02 g/mol.
Where can I buy 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid?
You can request a quote for 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((1-Methyl-1H-tetrazol-5-yl)thio)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.