![4-{[(Methylamino)carbonothioyl]amino}benzoic acid structure](/static/products/3472/34725-34-3.webp)
4-{[(Methylamino)carbonothioyl]amino}benzoic acid
TL;DR: 4-{[(Methylamino)carbonothioyl]amino}benzoic acid (CAS 34725-34-3) is a chemical compound with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(methylcarbamothioylamino)benzoic acid
Also Known As: 4-{[(methylamino)carbonothioyl]amino}benzoic acid, 4-(3-Methylthioureido)benzoic acid, 4-(methylcarbamothioylamino)benzoic acid, BAS 02230795, 4-(3-Methyl-thioureido)-benzoic acid
| Molecular Formula | C9H10N2O2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 1.301 |
| Topological Polar Surface Area | 61.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.0463 |
| Heavy Atoms | 14 |
| Complexity | 348.3345 |
Chemical Identifiers
| CAS Number | 34725-34-3 |
|---|---|
| SMILES | CNC(=S)NC1=CC=C(C=C1)C(=O)O |
Product Overview
4-{[(Methylamino)carbonothioyl]amino}benzoic acid (CAS 34725-34-3), with molecular formula C9H10N2O2S and molecular weight 210.05 g/mol. IUPAC: 4-(methylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 4-{[(Methylamino)carbonothioyl]amino}benzoic acid
Property Insights of 4-{[(Methylamino)carbonothioyl]amino}benzoic acid
The XLogP value of 1.301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(Methylamino)carbonothioyl]amino}benzoic acid. The TPSA of 61.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(Methylamino)carbonothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-{[(Methylamino)carbonothioyl]amino}benzoic acid has 3 hydrogen bond donor(s) and 2 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 4-{[(Methylamino)carbonothioyl]amino}benzoic acid?
The CAS number of 4-{[(Methylamino)carbonothioyl]amino}benzoic acid is 34725-34-3.
What is the molecular formula of 4-{[(Methylamino)carbonothioyl]amino}benzoic acid?
The molecular formula of 4-{[(Methylamino)carbonothioyl]amino}benzoic acid is C9H10N2O2S.
What is the molecular weight of 4-{[(Methylamino)carbonothioyl]amino}benzoic acid?
The molecular weight of 4-{[(Methylamino)carbonothioyl]amino}benzoic acid is 210.05 g/mol.
Where can I buy 4-{[(Methylamino)carbonothioyl]amino}benzoic acid?
You can request a quote for 4-{[(Methylamino)carbonothioyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(Methylamino)carbonothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(Methylamino)carbonothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.