![2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid structure](/static/products/5369/536983-44-5.webp)
2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid
TL;DR: 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid (CAS 536983-44-5) is a chemical compound with molecular formula C17H11ClN2O3S2 and molecular weight 389.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid
Also Known As: 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid, 2-[[[[ CARBONYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid, 2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]benzoic Acid, 2-[({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)amino]benzoic acid
| Molecular Formula | C17H11ClN2O3S2 |
|---|---|
| Molecular Weight | 389.99 g/mol |
| LogP | 4.3797 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.98996 |
| Heavy Atoms | 25 |
| Complexity | 1000.47656 |
Chemical Identifiers
| CAS Number | 536983-44-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=CC=C3C(=O)O)Cl |
Product Overview
2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid (CAS 536983-44-5), with molecular formula C17H11ClN2O3S2 and molecular weight 389.99 g/mol. IUPAC: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid
Property Insights of 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid
The XLogP value of 4.3797 indicates that 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 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid. Following Lipinski's Rule of Five, 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid has 3 hydrogen bond donor(s) and 4 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 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
The CAS number of 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid is 536983-44-5.
What is the molecular formula of 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
The molecular formula of 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid is C17H11ClN2O3S2.
What is the molecular weight of 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
The molecular weight of 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid is 389.99 g/mol.
Where can I buy 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
You can request a quote for 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 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[[carbonyl]amino]thioxomethyl]amino]-benzoicacid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.