![2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid structure](/static/products/5329/532949-10-3.webp)
2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
TL;DR: 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 532949-10-3) is a chemical compound with molecular formula C15H9IN4O7S and molecular weight 515.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dinitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid
Also Known As: 2-[(3,5-dinitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid, 2-[(3,5-dinitrobenzoyl)thiocarbamoylamino]-5-iodo-benzoic Acid, 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl ]amino]-5-iodo-benzoic acid
| Molecular Formula | C15H9IN4O7S |
|---|---|
| Molecular Weight | 515.92 g/mol |
| LogP | 2.9326 |
| Topological Polar Surface Area | 164.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 515.92365 |
| Heavy Atoms | 28 |
| Complexity | 995.19415 |
Chemical Identifiers
| CAS Number | 532949-10-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1I)C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid (CAS 532949-10-3), with molecular formula C15H9IN4O7S and molecular weight 515.92 g/mol. IUPAC: 2-[(3,5-dinitrobenzoyl)carbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
Property Insights of 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid
The XLogP value of 2.9326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid. The TPSA of 164.71 Ų indicates high polarity, suggesting 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The CAS number of 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is 532949-10-3.
What is the molecular formula of 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular formula of 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is C15H9IN4O7S.
What is the molecular weight of 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
The molecular weight of 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid is 515.92 g/mol.
Where can I buy 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
You can request a quote for 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[(3,5-Dinitrobenzoyl)amino]thioxomethyl]amino]-5-iodo-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.