![2-[(Carbamothioylamino)carbamoyl]benzoic acid structure](/static/products/1122/112273-79-7.webp)
2-[(Carbamothioylamino)carbamoyl]benzoic acid
TL;DR: 2-[(Carbamothioylamino)carbamoyl]benzoic acid (CAS 112273-79-7) is a chemical compound with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(carbamothioylamino)carbamoyl]benzoic acid
Also Known As: 2-[(carbamothioylamino)carbamoyl]benzoic acid, BAS 01860861, 2-{[2-(aminocarbothioyl)hydrazino]carbonyl}benzoic acid, 2-(2-Carbamothioylhydrazine-1-carbonyl)benzoic acid, .2-(3-Thiocarbamoyl-carbazoyl)-benzoesaeure
| Molecular Formula | C9H9N3O3S |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.03647 |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 112273-79-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NNC(=S)N)C(=O)O |
| InChIKey | KPSPJRDTOGNICU-UHFFFAOYSA-N |
Product Overview
2-[(Carbamothioylamino)carbamoyl]benzoic acid (CAS 112273-79-7), with molecular formula C9H9N3O3S and molecular weight 239.04 g/mol. IUPAC: 2-[(carbamothioylamino)carbamoyl]benzoic acid.
Chemical Property Profile of 2-[(Carbamothioylamino)carbamoyl]benzoic acid
Property Insights of 2-[(Carbamothioylamino)carbamoyl]benzoic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Carbamothioylamino)carbamoyl]benzoic acid. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Carbamothioylamino)carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[(Carbamothioylamino)carbamoyl]benzoic acid has 4 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-[(Carbamothioylamino)carbamoyl]benzoic acid?
The CAS number of 2-[(Carbamothioylamino)carbamoyl]benzoic acid is 112273-79-7.
What is the molecular formula of 2-[(Carbamothioylamino)carbamoyl]benzoic acid?
The molecular formula of 2-[(Carbamothioylamino)carbamoyl]benzoic acid is C9H9N3O3S.
What is the molecular weight of 2-[(Carbamothioylamino)carbamoyl]benzoic acid?
The molecular weight of 2-[(Carbamothioylamino)carbamoyl]benzoic acid is 239.04 g/mol.
Where can I buy 2-[(Carbamothioylamino)carbamoyl]benzoic acid?
You can request a quote for 2-[(Carbamothioylamino)carbamoyl]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-[(Carbamothioylamino)carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Carbamothioylamino)carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.