![ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate structure](/static/products/160/160424-45-3.webp)
ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
TL;DR: ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate (CAS 160424-45-3) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(methylcarbamothioylamino)-1H-indole-2-carboxylate
Also Known As: ethyl 3-(3-methylthioureido)-1H-indole-2-carboxylate, ethyl 3-(methylcarbamothioylamino)-1H-indole-2-carboxylate, ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
Technical Specifications
| Molecular Formula | C13H15N3O2S |
| Molecular Weight | 277.0885 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.0885 Da |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NC |
| InChIKey | GZVYWRVJNJAKSI-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
Property Insights of ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate 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
What is the CAS number of ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The CAS number of ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate is 160424-45-3.
What is the molecular formula of ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate is C13H15N3O2S.
What is the molecular weight of ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate is 277.0885 g/mol.
Where can I buy ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-[(methylcarbamothioyl)amino]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.