![2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid structure](/static/products/5329/532944-80-2.webp)
2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid
TL;DR: 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid (CAS 532944-80-2) is a chemical compound with molecular formula C17H10ClIN2O3S2 and molecular weight 515.89 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]-5-iodobenzoic acid
Also Known As: 2-[[[[carbonyl]amino]thioxomethyl]amino]-5-iodo-benzoicacid, 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid, 2-[[[[ CARBONYL]AMINO]THIOXOMETHYL]AMINO]-5-IODO-BENZOICACID, 2-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]-5-iodo-benzoic Acid, 2-[[[[(3-Chlorobenzo[b]thien-2-yl)carbonyl ]amino]thioxomethyl ]amino]-5-iodo-benzoic acid
| Molecular Formula | C17H10ClIN2O3S2 |
|---|---|
| Molecular Weight | 515.89 g/mol |
| LogP | 4.9843 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 515.8866 |
| Heavy Atoms | 26 |
| Complexity | 1051.6641 |
Chemical Identifiers
| CAS Number | 532944-80-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=C(C=C(C=C3)I)C(=O)O)Cl |
Product Overview
2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid (CAS 532944-80-2), with molecular formula C17H10ClIN2O3S2 and molecular weight 515.89 g/mol. IUPAC: 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid.
Chemical Property Profile of 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid
Property Insights of 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid
The XLogP value of 4.9843 indicates that 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic 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]-5-iodobenzoic acid. Following Lipinski's Rule of Five, 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic 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]-5-iodobenzoic acid?
The CAS number of 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid is 532944-80-2.
What is the molecular formula of 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid?
The molecular formula of 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid is C17H10ClIN2O3S2.
What is the molecular weight of 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid?
The molecular weight of 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid is 515.89 g/mol.
Where can I buy 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid?
You can request a quote for 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic 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]-5-iodobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5-iodobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.