N(5)-(2'-aminophenyl)-4-thioxohydantoic acid
TL;DR: N(5)-(2'-aminophenyl)-4-thioxohydantoic acid (CAS 125421-22-9) is a chemical compound with molecular formula C9H11N3O2S and molecular weight 225.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-aminophenyl)carbamothioylamino]acetic acid
Also Known As: 2-Amino-ptc-gly, o-Amino-ptc-glycine, N(5)-(2'-Aminophenyl)-4-thioxohydantoic acid, 2-[(2-aminophenyl)carbamothioylamino]acetic acid, N-[(2-Aminophenyl)carbamothioyl]glycine
Technical Specifications
| Molecular Formula | C9H11N3O2S |
| Molecular Weight | 225.0572 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.0572 Da |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
| SMILES | C1=CC=C(C(=C1)N)NC(=S)NCC(=O)O |
| InChIKey | CZGCMOFGLOQOBE-UHFFFAOYSA-N |
Chemical Property Profile of N(5)-(2'-aminophenyl)-4-thioxohydantoic acid
Property Insights of N(5)-(2'-aminophenyl)-4-thioxohydantoic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(5)-(2'-aminophenyl)-4-thioxohydantoic acid. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N(5)-(2'-aminophenyl)-4-thioxohydantoic acid. Following Lipinski's Rule of Five, N(5)-(2'-aminophenyl)-4-thioxohydantoic 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
What is the CAS number of N(5)-(2'-aminophenyl)-4-thioxohydantoic acid?
The CAS number of N(5)-(2'-aminophenyl)-4-thioxohydantoic acid is 125421-22-9.
What is the molecular formula of N(5)-(2'-aminophenyl)-4-thioxohydantoic acid?
The molecular formula of N(5)-(2'-aminophenyl)-4-thioxohydantoic acid is C9H11N3O2S.
What is the molecular weight of N(5)-(2'-aminophenyl)-4-thioxohydantoic acid?
The molecular weight of N(5)-(2'-aminophenyl)-4-thioxohydantoic acid is 225.0572 g/mol.
Where can I buy N(5)-(2'-aminophenyl)-4-thioxohydantoic acid?
You can request a quote for N(5)-(2'-aminophenyl)-4-thioxohydantoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N(5)-(2'-aminophenyl)-4-thioxohydantoic acid?
Yes, CoreyChem provides custom synthesis services for N(5)-(2'-aminophenyl)-4-thioxohydantoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.