Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester
TL;DR: Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester (CAS 18719-14-7) is a chemical compound with molecular formula C6H13NOS and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(dimethylamino)ethyl] ethanethioate
Also Known As: S-[2-(Dimethylamino)ethyl] ethanethioate, Ethanethioic acid, S-[2-(dimethylamino)ethyl] ester, S-(2-(Dimethylamino)ethyl) ethanethioate, S-(2-dimethylaminoethyl) ethanethioate, 2-(N,N-dimethylamino)ethyl thioacetate
| Molecular Formula | C6H13NOS |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.0718 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 18719-14-7 |
|---|---|
| SMILES | CC(=O)SCCN(C)C |
| InChIKey | WWQBUCLKROAZHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester (CAS 18719-14-7), with molecular formula C6H13NOS and molecular weight 147.07 g/mol. IUPAC: S-[2-(dimethylamino)ethyl] ethanethioate.
Chemical Property Profile of Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester
Property Insights of Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester. With a topological polar surface area (TPSA) of 45.6 Ų, Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, S-(2-(dimethylamino)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 Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester?
The CAS number of Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester is 18719-14-7.
What is the molecular formula of Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester?
The molecular formula of Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester is C6H13NOS.
What is the molecular weight of Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester?
The molecular weight of Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester is 147.07 g/mol.
Where can I buy Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester?
You can request a quote for Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S-(2-(dimethylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.