2-Nitro-5-sulfanylbenzoic acid
TL;DR: 2-Nitro-5-sulfanylbenzoic acid (CAS 153736-39-1) is a chemical compound with molecular formula C7H5NO4S and molecular weight 198.99393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitro-5-sulfanylbenzoic acid
Also Known As: 2-nitro-5-sulfanylbenzoic acid, Thionitrobenzoate, 5-Mercapto-2-nitrobenzoic acid, thionitrobenzoic acid, 2-Nitro-5-thiobenzoic acid
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H5NO4S |
| Molecular Weight | 198.99393 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 84.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.99393 Da |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| SMILES | C1=CC(=C(C=C1S)C(=O)O)[N+](=O)[O-] |
| InChIKey | GANZODCWZFAEGN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitro-5-sulfanylbenzoic acid
Property Insights of 2-Nitro-5-sulfanylbenzoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitro-5-sulfanylbenzoic acid. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-5-sulfanylbenzoic acid. Following Lipinski's Rule of Five, 2-Nitro-5-sulfanylbenzoic acid 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
What is the CAS number of 2-Nitro-5-sulfanylbenzoic acid?
The CAS number of 2-Nitro-5-sulfanylbenzoic acid is 153736-39-1.
What is the molecular formula of 2-Nitro-5-sulfanylbenzoic acid?
The molecular formula of 2-Nitro-5-sulfanylbenzoic acid is C7H5NO4S.
What is the molecular weight of 2-Nitro-5-sulfanylbenzoic acid?
The molecular weight of 2-Nitro-5-sulfanylbenzoic acid is 198.99393 g/mol.
Where can I buy 2-Nitro-5-sulfanylbenzoic acid?
You can request a quote for 2-Nitro-5-sulfanylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitro-5-sulfanylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Nitro-5-sulfanylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.