![3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid structure](/static/products/5369/536983-75-2.webp)
3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid
TL;DR: 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid (CAS 536983-75-2) is a chemical compound with molecular formula C17H9Cl3N2O3S2 and molecular weight 457.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid, 3,5-DICHLORO-2-[[[[ CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3,5-dichloro-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid, 3,5-dichloro-2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic Acid, 3,5-Dichloro-2-[[[[(3-chlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]-benzoic acid
| Molecular Formula | C17H9Cl3N2O3S2 |
|---|---|
| Molecular Weight | 457.91 g/mol |
| LogP | 5.6865 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.91202 |
| Heavy Atoms | 27 |
| Complexity | 1098.4623 |
Chemical Identifiers
| CAS Number | 536983-75-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3Cl)Cl)C(=O)O)Cl |
Product Overview
3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid (CAS 536983-75-2), with molecular formula C17H9Cl3N2O3S2 and molecular weight 457.91 g/mol. IUPAC: 3,5-dichloro-2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid
Property Insights of 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid
The XLogP value of 5.6865 indicates that 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid. Following Lipinski's Rule of Five, 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
The CAS number of 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid is 536983-75-2.
What is the molecular formula of 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
The molecular formula of 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid is C17H9Cl3N2O3S2.
What is the molecular weight of 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
The molecular weight of 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid is 457.91 g/mol.
Where can I buy 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
You can request a quote for 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dichloro-2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.