![N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester structure](/static/products/3025/302548-87-4.webp)
N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
TL;DR: N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester (CAS 302548-87-4) is a chemical compound with molecular formula C16H20N2OS2 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] N,N-diethylcarbamodithioate
Also Known As: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] N,N-diethylcarbamodithioate|N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester|2-(2-methyl-1H-indol-3-yl)-2-oxoethyl diethylcarbamodithioate|2-[(diethylcarbamothioyl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethan-1-one|2-[(diethylamino)thioxomethylthio]-1-(2-methylindol-3-yl)ethan-1-one|[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] N,N-diethylcarbamodithioate|N,N-diethylcarbamodithioic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester|MLS000375001|SMR000254355|cid_1584915
| Molecular Formula | C16H20N2OS2 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 4.01892 |
| Topological Polar Surface Area | 36.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.1017 |
| Heavy Atoms | 21 |
| Complexity | 659.34076 |
Chemical Identifiers
| CAS Number | 302548-87-4 |
|---|---|
| SMILES | CCN(CC)C(=S)SCC(=O)C1=C(NC2=CC=CC=C21)C |
Product Overview
N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester (CAS 302548-87-4), with molecular formula C16H20N2OS2 and molecular weight 320.10 g/mol. IUPAC: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] N,N-diethylcarbamodithioate.
Chemical Property Profile of N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
Property Insights of N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
The XLogP value of 4.01892 indicates that N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.1 Ų, N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester has 1 hydrogen bond donor(s) and 3 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 N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester?
The CAS number of N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester is 302548-87-4.
What is the molecular formula of N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester?
The molecular formula of N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester is C16H20N2OS2.
What is the molecular weight of N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester?
The molecular weight of N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester is 320.10 g/mol.
Where can I buy N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester?
You can request a quote for N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.