![ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate structure](/static/products/542/5427-84-9.png)
ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate
TL;DR: ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate (CAS 5427-84-9) is a chemical compound with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate
Also Known As: ethyl (3E)-3-[(2-carbamothioylhydrazinyl)methylidene]indole-
| Molecular Formula | C13H14N4O2S |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 1.5117 |
| Topological Polar Surface Area | 92.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.08374 |
| Heavy Atoms | 20 |
| Complexity | 678.06104 |
Chemical Identifiers
| CAS Number | 5427-84-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N1)C=NNC(=S)N |
Product Overview
ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate (CAS 5427-84-9), with molecular formula C13H14N4O2S and molecular weight 290.08 g/mol. IUPAC: ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate
Property Insights of ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate
The XLogP value of 1.5117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate. The TPSA of 92.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate has 3 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 ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate?
The CAS number of ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate is 5427-84-9.
What is the molecular formula of ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate?
The molecular formula of ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate is C13H14N4O2S.
What is the molecular weight of ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate?
The molecular weight of ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate is 290.08 g/mol.
Where can I buy ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate?
You can request a quote for ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[(carbamothioylhydrazinylidene)methyl]-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.