benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate
TL;DR: benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate (CAS 62295-08-3) is a chemical compound with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate
Also Known As: benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate, benzyl N-[(1-ethyl-2-oxoindol-3-ylidene)amino]carbamodithioate, benzyl N-[(Z)-(1-ethyl-2-oxoindol-3-ylidene)amino]carbamodit, Benzyl (2Z)-2-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazine-1-carbodithioate
| Molecular Formula | C18H17N3OS2 |
|---|---|
| Molecular Weight | 355.08 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.0813 |
| Heavy Atoms | 24 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 62295-08-3 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(=C1O)N=NC(=S)SCC3=CC=CC=C3 |
| InChIKey | DLPMUFCVURUHJZ-UHFFFAOYSA-N |
Product Overview
benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate (CAS 62295-08-3), with molecular formula C18H17N3OS2 and molecular weight 355.08 g/mol. IUPAC: benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate.
Chemical Property Profile of benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate
Property Insights of benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate
The XLogP value of 5.3 indicates that benzyl N-(1-ethyl-2-hydroxyindol-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 benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate. Following Lipinski's Rule of Five, benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate?
The CAS number of benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate is 62295-08-3.
What is the molecular formula of benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate?
The molecular formula of benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate is C18H17N3OS2.
What is the molecular weight of benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate?
The molecular weight of benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate is 355.08 g/mol.
Where can I buy benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate?
You can request a quote for benzyl N-(1-ethyl-2-hydroxyindol-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 benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for benzyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.