Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)-
TL;DR: Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- (CAS 64679-70-5) is a chemical compound with molecular formula C9H8OS3 and molecular weight 227.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dithiolan-2-ylidene)-1-thiophen-2-ylethanone
Also Known As: Maybridge3_001134, CCNLGNRHQSDXHW-UHFFFAOYSA, CCNLGNRHQSDXHW-UHFFFAOYSA-, 2-(1,3-dithiolan-2-ylidene)-1-thiophen-2-ylethanone, Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)-
| Molecular Formula | C9H8OS3 |
|---|---|
| Molecular Weight | 227.97 g/mol |
| LogP | 3.2522 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.97372 |
| Heavy Atoms | 13 |
| Complexity | 318.63882 |
Chemical Identifiers
| CAS Number | 64679-70-5 |
|---|---|
| SMILES | C1CSC(=CC(=O)C2=CC=CS2)S1 |
Product Overview
Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- (CAS 64679-70-5), with molecular formula C9H8OS3 and molecular weight 227.97 g/mol. IUPAC: 2-(1,3-dithiolan-2-ylidene)-1-thiophen-2-ylethanone.
Chemical Property Profile of Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)-
Property Insights of Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)-
The XLogP value of 3.2522 indicates that Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- has 0 hydrogen bond donor(s) and 4 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 Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)-?
The CAS number of Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- is 64679-70-5.
What is the molecular formula of Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)-?
The molecular formula of Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- is C9H8OS3.
What is the molecular weight of Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)-?
The molecular weight of Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- is 227.97 g/mol.
Where can I buy Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)-?
You can request a quote for Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 2-(1,3-dithiolan-2-ylidene)-1-(2-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.