Carbamothioic acid, dibutyl-, S-ethyl ester
TL;DR: Carbamothioic acid, dibutyl-, S-ethyl ester (CAS 2444-96-4) is a chemical compound with molecular formula C11H23NOS and molecular weight 217.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N,N-dibutylcarbamothioate
Also Known As: S-Ethyl dibutylthiocarbamate, S-ethyl dibutylcarbamothioate, Carbamothioic acid, dibutyl-, S-ethyl ester, S-ethyl N,N-dibutylcarbamothioate, N,N-Dibutyl-thiocarbaminsaeure-S-aethylester
| Molecular Formula | C11H23NOS |
|---|---|
| Molecular Weight | 217.15 g/mol |
| LogP | 3.7617 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 217.15004 |
| Heavy Atoms | 14 |
| Complexity | 142.22296 |
Chemical Identifiers
| CAS Number | 2444-96-4 |
|---|---|
| SMILES | CCCCN(CCCC)C(=O)SCC |
Product Overview
Carbamothioic acid, dibutyl-, S-ethyl ester (CAS 2444-96-4), with molecular formula C11H23NOS and molecular weight 217.15 g/mol. IUPAC: S-ethyl N,N-dibutylcarbamothioate.
Chemical Property Profile of Carbamothioic acid, dibutyl-, S-ethyl ester
Property Insights of Carbamothioic acid, dibutyl-, S-ethyl ester
The XLogP value of 3.7617 indicates that Carbamothioic acid, dibutyl-, S-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Carbamothioic acid, dibutyl-, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamothioic acid, dibutyl-, S-ethyl ester has 0 hydrogen bond donor(s) and 2 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 Carbamothioic acid, dibutyl-, S-ethyl ester?
The CAS number of Carbamothioic acid, dibutyl-, S-ethyl ester is 2444-96-4.
What is the molecular formula of Carbamothioic acid, dibutyl-, S-ethyl ester?
The molecular formula of Carbamothioic acid, dibutyl-, S-ethyl ester is C11H23NOS.
What is the molecular weight of Carbamothioic acid, dibutyl-, S-ethyl ester?
The molecular weight of Carbamothioic acid, dibutyl-, S-ethyl ester is 217.15 g/mol.
Where can I buy Carbamothioic acid, dibutyl-, S-ethyl ester?
You can request a quote for Carbamothioic acid, dibutyl-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, dibutyl-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, dibutyl-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.