Butanethioic acid, S-(2-(dimethylamino)ethyl) ester
TL;DR: Butanethioic acid, S-(2-(dimethylamino)ethyl) ester (CAS 63512-62-9) is a chemical compound with molecular formula C8H17NOS and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(dimethylamino)ethyl] butanethioate
Also Known As: S-[2-(dimethylamino)ethyl] butanethioate, S-[2- ethyl]butanethioate, S-(2-(Dimethylamino)ethyl) butanethioate, Butanethioic acid, S-[2-(dimethylamino)ethyl] ester, S-(2-dimethylaminoethyl) butanethioate
| Molecular Formula | C8H17NOS |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 175.10309 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 63512-62-9 |
|---|---|
| SMILES | CCCC(=O)SCCN(C)C |
| InChIKey | DSJJEJHMVGHXTN-UHFFFAOYSA-N |
Product Overview
Butanethioic acid, S-(2-(dimethylamino)ethyl) ester (CAS 63512-62-9), with molecular formula C8H17NOS and molecular weight 175.10 g/mol. IUPAC: S-[2-(dimethylamino)ethyl] butanethioate.
Chemical Property Profile of Butanethioic acid, S-(2-(dimethylamino)ethyl) ester
Property Insights of Butanethioic acid, S-(2-(dimethylamino)ethyl) ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanethioic acid, S-(2-(dimethylamino)ethyl) ester. With a topological polar surface area (TPSA) of 45.6 Ų, Butanethioic acid, S-(2-(dimethylamino)ethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanethioic 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 Butanethioic acid, S-(2-(dimethylamino)ethyl) ester?
The CAS number of Butanethioic acid, S-(2-(dimethylamino)ethyl) ester is 63512-62-9.
What is the molecular formula of Butanethioic acid, S-(2-(dimethylamino)ethyl) ester?
The molecular formula of Butanethioic acid, S-(2-(dimethylamino)ethyl) ester is C8H17NOS.
What is the molecular weight of Butanethioic acid, S-(2-(dimethylamino)ethyl) ester?
The molecular weight of Butanethioic acid, S-(2-(dimethylamino)ethyl) ester is 175.10 g/mol.
Where can I buy Butanethioic acid, S-(2-(dimethylamino)ethyl) ester?
You can request a quote for Butanethioic 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 Butanethioic acid, S-(2-(dimethylamino)ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanethioic acid, S-(2-(dimethylamino)ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.