![2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid structure](/static/products/7467/74674-35-4.webp)
2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid
TL;DR: 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid (CAS 74674-35-4) is a chemical compound with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(4-methylphenyl)carbamothioylamino]carbamoyl]benzoic acid
Also Known As: 2-[[(4-methylphenyl)carbamothioylamino]carbamoyl]benzoic acid, 2-(2-(p-Tolylcarbamothioyl)hydrazine-1-carbonyl)benzoic acid, 2-({2-[(4-methylphenyl)carbamothioyl]hydrazinyl}carbonyl)benzoic acid, 2-[[(4-methylphenyl)thiocarbamoylamino]carbamoyl]benzoic Acid, 2-{[2-(4-Toluidinocarbothioyl)hydrazino]carbonyl}benzoic acid
| Molecular Formula | C16H15N3O3S |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.0834 |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 74674-35-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | FTZCHQOORQBJBL-UHFFFAOYSA-N |
Product Overview
2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid (CAS 74674-35-4), with molecular formula C16H15N3O3S and molecular weight 329.08 g/mol. IUPAC: 2-[[(4-methylphenyl)carbamothioylamino]carbamoyl]benzoic acid.
Chemical Property Profile of 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid
Property Insights of 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid. Following Lipinski's Rule of Five, 2-[[(4-Methylphenyl)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-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid?
The CAS number of 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid is 74674-35-4.
What is the molecular formula of 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid?
The molecular formula of 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid is C16H15N3O3S.
What is the molecular weight of 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid?
The molecular weight of 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid is 329.08 g/mol.
Where can I buy 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid?
You can request a quote for 2-[[(4-Methylphenyl)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-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[(4-Methylphenyl)carbamothioylamino]carbamoyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.