2-(Carbamothioylcarbamoyl)benzoic acid
TL;DR: 2-(Carbamothioylcarbamoyl)benzoic acid (CAS 36053-26-6) is a chemical compound with molecular formula C9H8N2O3S and molecular weight 224.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carbamothioylcarbamoyl)benzoic acid
Also Known As: 2-(carbamothioylcarbamoyl)benzoic acid, N-Thiocarbaminyl-phthalamidsaeure
| Molecular Formula | C9H8N2O3S |
|---|---|
| Molecular Weight | 224.03 g/mol |
| LogP | 0.3582 |
| Topological Polar Surface Area | 92.42 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.02556 |
| Heavy Atoms | 15 |
| Complexity | 431.12057 |
Chemical Identifiers
| CAS Number | 36053-26-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)N)C(=O)O |
Product Overview
2-(Carbamothioylcarbamoyl)benzoic acid (CAS 36053-26-6), with molecular formula C9H8N2O3S and molecular weight 224.03 g/mol. IUPAC: 2-(carbamothioylcarbamoyl)benzoic acid.
Chemical Property Profile of 2-(Carbamothioylcarbamoyl)benzoic acid
Property Insights of 2-(Carbamothioylcarbamoyl)benzoic acid
The XLogP value of 0.3582 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Carbamothioylcarbamoyl)benzoic acid. The TPSA of 92.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Carbamothioylcarbamoyl)benzoic acid. Following Lipinski's Rule of Five, 2-(Carbamothioylcarbamoyl)benzoic acid has 3 hydrogen bond donor(s) and 3 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-(Carbamothioylcarbamoyl)benzoic acid?
The CAS number of 2-(Carbamothioylcarbamoyl)benzoic acid is 36053-26-6.
What is the molecular formula of 2-(Carbamothioylcarbamoyl)benzoic acid?
The molecular formula of 2-(Carbamothioylcarbamoyl)benzoic acid is C9H8N2O3S.
What is the molecular weight of 2-(Carbamothioylcarbamoyl)benzoic acid?
The molecular weight of 2-(Carbamothioylcarbamoyl)benzoic acid is 224.03 g/mol.
Where can I buy 2-(Carbamothioylcarbamoyl)benzoic acid?
You can request a quote for 2-(Carbamothioylcarbamoyl)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-(Carbamothioylcarbamoyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Carbamothioylcarbamoyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.