Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester
TL;DR: Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester (CAS 1782-19-0) is a chemical compound with molecular formula C8H9NO2S2 and molecular weight 215.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(1,3-dithiolan-2-ylidene)acetate
Also Known As: ethyl 2-cyano-2-(1,3-dithiolan-2-ylidene)acetate, Ethyl cyano(1,3-dithiolan-2-ylidene)acetate, Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester, 2-(1,3-Dithiolan-2-ylidene)-2-cyanoacetic acid ethyl ester, RefChem:316593
| Molecular Formula | C8H9NO2S2 |
|---|---|
| Molecular Weight | 215.01 g/mol |
| LogP | 1.76468 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.00748 |
| Heavy Atoms | 13 |
| Complexity | 272.35883 |
Chemical Identifiers
| CAS Number | 1782-19-0 |
|---|---|
| SMILES | CCOC(=O)C(=C1SCCS1)C#N |
Product Overview
Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester (CAS 1782-19-0), with molecular formula C8H9NO2S2 and molecular weight 215.01 g/mol. IUPAC: ethyl 2-cyano-2-(1,3-dithiolan-2-ylidene)acetate.
Chemical Property Profile of Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester
Property Insights of Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester
The XLogP value of 1.76468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester. With a topological polar surface area (TPSA) of 50.09 Ų, Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester?
The CAS number of Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester is 1782-19-0.
What is the molecular formula of Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester?
The molecular formula of Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester is C8H9NO2S2.
What is the molecular weight of Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester?
The molecular weight of Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester is 215.01 g/mol.
Where can I buy Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester?
You can request a quote for Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, cyano-1,3-dithiolan-2-ylidene-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.