![2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid structure](/static/products/5369/536980-32-2.webp)
2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid
TL;DR: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid (CAS 536980-32-2) is a chemical compound with molecular formula C17H9ClI2N2O3S2 and molecular weight 641.78 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]-3,5-diiodobenzoic acid
Also Known As: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid, 2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-3,5-diiodo-benzoic Acid, 2-[[[[(3-Chlorobenzo[b]thien-2-yl)carbonyl ]amino]thioxomethyl ]amino]-3,5-diiodo-benzoic acid
| Molecular Formula | C17H9ClI2N2O3S2 |
|---|---|
| Molecular Weight | 641.78 g/mol |
| LogP | 5.5889 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 641.78326 |
| Heavy Atoms | 27 |
| Complexity | 1101.2172 |
Chemical Identifiers
| CAS Number | 536980-32-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3I)I)C(=O)O)Cl |
Product Overview
2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid (CAS 536980-32-2), with molecular formula C17H9ClI2N2O3S2 and molecular weight 641.78 g/mol. IUPAC: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid.
Chemical Property Profile of 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid
Property Insights of 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid
The XLogP value of 5.5889 indicates that 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid 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-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid. Following Lipinski's Rule of Five, 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid 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 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid?
The CAS number of 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid is 536980-32-2.
What is the molecular formula of 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid?
The molecular formula of 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid is C17H9ClI2N2O3S2.
What is the molecular weight of 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid?
The molecular weight of 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid is 641.78 g/mol.
Where can I buy 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid?
You can request a quote for 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic 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-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-3,5-diiodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.