![Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester structure](/static/products/114/114393-77-0.webp)
Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester
TL;DR: Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester (CAS 114393-77-0) is a chemical compound with molecular formula C6H10O2S2 and molecular weight 178.01222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-ethanethioylsulfanylacetate
Also Known As: ethoxycarbonylmethyl dithioacetate, Ethyl 2-ethanethioylsulfanylacetate, Ethyl (ethanethioylsulfanyl)acetate, Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester
Technical Specifications
| Molecular Formula | C6H10O2S2 |
| Molecular Weight | 178.01222 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.01222 Da |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
| SMILES | CCOC(=O)CSC(=S)C |
| InChIKey | OEBAUBJJYHXAHH-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester
Property Insights of Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester 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
What is the CAS number of Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester?
The CAS number of Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester is 114393-77-0.
What is the molecular formula of Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester?
The molecular formula of Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester is C6H10O2S2.
What is the molecular weight of Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester?
The molecular weight of Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester is 178.01222 g/mol.
Where can I buy Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester?
You can request a quote for Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, [(1-thioxoethyl)thio]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.