ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate
TL;DR: ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate (CAS 62295-06-1) is a chemical compound with molecular formula C12H13N3OS2 and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate
Also Known As: ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate, ethyl N-[(1-methyl-2-oxoindol-3-ylidene)amino]carbamodithioate, ethyl N-[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]carbamodit, ethyl N-[(Z)-(1-methyl-2-oxoindol-3-ylidene)amino]carbamodithioate, ethyl N-[(Z)-(1-methyl-2-oxo-indolin-3-ylidene)amino]carbamodithioate
| Molecular Formula | C12H13N3OS2 |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.05002 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 62295-06-1 |
|---|---|
| SMILES | CCSC(=S)N=NC1=C(N(C2=CC=CC=C21)C)O |
| InChIKey | MAJNQAWEWMAYMS-UHFFFAOYSA-N |
Product Overview
ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate (CAS 62295-06-1), with molecular formula C12H13N3OS2 and molecular weight 279.05 g/mol. IUPAC: ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate.
Chemical Property Profile of ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate
Property Insights of ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate
The XLogP value of 3.9 indicates that ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate. Following Lipinski's Rule of Five, ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate has 1 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 N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate?
The CAS number of ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate is 62295-06-1.
What is the molecular formula of ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate?
The molecular formula of ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate is C12H13N3OS2.
What is the molecular weight of ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate?
The molecular weight of ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate is 279.05 g/mol.
Where can I buy ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate?
You can request a quote for ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(2-hydroxy-1-methylindol-3-yl)iminocarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.