Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester
TL;DR: Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester (CAS 112165-10-3) is a chemical compound with molecular formula C8H17NS3 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfanylethyl N,N-diethylcarbamodithioate
Also Known As: 1-(Methylthio)ethyl diethylcarbamodithioate, Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester, 1-(Methylsulfanyl)ethyl diethylcarbamodithioate, 1-methylsulfanylethyl N,N-diethylcarbamodithioate, RefChem:1081009
| Molecular Formula | C8H17NS3 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 3.0553 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.0523 |
| Heavy Atoms | 12 |
| Complexity | 134.26466 |
Chemical Identifiers
| CAS Number | 112165-10-3 |
|---|---|
| SMILES | CCN(CC)C(=S)SC(C)SC |
Product Overview
Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester (CAS 112165-10-3), with molecular formula C8H17NS3 and molecular weight 223.05 g/mol. IUPAC: 1-methylsulfanylethyl N,N-diethylcarbamodithioate.
Chemical Property Profile of Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester
Property Insights of Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester
The XLogP value of 3.0553 indicates that Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester has 0 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 Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester?
The CAS number of Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester is 112165-10-3.
What is the molecular formula of Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester?
The molecular formula of Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester is C8H17NS3.
What is the molecular weight of Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester?
The molecular weight of Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester is 223.05 g/mol.
Where can I buy Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester?
You can request a quote for Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamodithioic acid, diethyl-, 1-(methylthio)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.