alpha-Emtbl
TL;DR: alpha-Emtbl (CAS 103620-92-4) is a chemical compound with molecular formula CCC1(CCSC1=O)C and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-3-methylthiolan-2-one
Also Known As: alpha-Emtbl, 3-ethyl-3-methylthiolan-2-one, alpha-Ethyl-alpha-methyl-thiobutyrolactone, 6-chloro-2,3-dihydroxychromen-4-one, alpha-ethyl, alpha-methyl-thiobutyrolactone
| Molecular Formula | CCC1(CCSC1=O)C |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.06088 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 103620-92-4 |
|---|---|
| SMILES | CCC1(CCSC1=O)C |
| InChIKey | PSYRIJIIQVMBLR-UHFFFAOYSA-N |
Product Overview
alpha-Emtbl (CAS 103620-92-4), with molecular formula CCC1(CCSC1=O)C and molecular weight 144.06 g/mol. IUPAC: 3-ethyl-3-methylthiolan-2-one.
Chemical Property Profile of alpha-Emtbl
Property Insights of alpha-Emtbl
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Emtbl. With a topological polar surface area (TPSA) of 42.4 Ų, alpha-Emtbl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Emtbl 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 alpha-Emtbl?
The CAS number of alpha-Emtbl is 103620-92-4.
What is the molecular formula of alpha-Emtbl?
The molecular formula of alpha-Emtbl is CCC1(CCSC1=O)C.
What is the molecular weight of alpha-Emtbl?
The molecular weight of alpha-Emtbl is 144.06 g/mol.
Where can I buy alpha-Emtbl?
You can request a quote for alpha-Emtbl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Emtbl?
Yes, KEHONG BIO provides custom synthesis services for alpha-Emtbl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.