![S-[2-(diethylamino)ethyl] benzenecarbothioate structure](/static/products/1444/14441-55-5.webp)
S-[2-(diethylamino)ethyl] benzenecarbothioate
TL;DR: S-[2-(diethylamino)ethyl] benzenecarbothioate (CAS 14441-55-5) is a chemical compound with molecular formula C13H19NOS and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(diethylamino)ethyl] benzenecarbothioate
Also Known As: S-[2-(diethylamino)ethyl] benzenecarbothioate, S-(2-diethylaminoethyl) benzenecarbothioate
| Molecular Formula | C13H19NOS |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.11873 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 14441-55-5 |
|---|---|
| SMILES | CCN(CC)CCSC(=O)C1=CC=CC=C1 |
| InChIKey | MDDIJGKRBBOJDY-UHFFFAOYSA-N |
Product Overview
S-[2-(diethylamino)ethyl] benzenecarbothioate (CAS 14441-55-5), with molecular formula C13H19NOS and molecular weight 237.12 g/mol. IUPAC: S-[2-(diethylamino)ethyl] benzenecarbothioate.
Chemical Property Profile of S-[2-(diethylamino)ethyl] benzenecarbothioate
Property Insights of S-[2-(diethylamino)ethyl] benzenecarbothioate
The XLogP value of 3.1 indicates that S-[2-(diethylamino)ethyl] benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, S-[2-(diethylamino)ethyl] benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-[2-(diethylamino)ethyl] benzenecarbothioate 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 S-[2-(diethylamino)ethyl] benzenecarbothioate?
The CAS number of S-[2-(diethylamino)ethyl] benzenecarbothioate is 14441-55-5.
What is the molecular formula of S-[2-(diethylamino)ethyl] benzenecarbothioate?
The molecular formula of S-[2-(diethylamino)ethyl] benzenecarbothioate is C13H19NOS.
What is the molecular weight of S-[2-(diethylamino)ethyl] benzenecarbothioate?
The molecular weight of S-[2-(diethylamino)ethyl] benzenecarbothioate is 237.12 g/mol.
Where can I buy S-[2-(diethylamino)ethyl] benzenecarbothioate?
You can request a quote for S-[2-(diethylamino)ethyl] benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-[2-(diethylamino)ethyl] benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-[2-(diethylamino)ethyl] benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.