Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-
TL;DR: Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)- (CAS 63905-80-6) is a chemical compound with molecular formula C8H8O4S and molecular weight 200.01433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,5-dioxocyclohex-3-en-1-yl)sulfanylacetic acid
Also Known As: [ thio]aceticacid|((2,5-Dioxo-3-cyclohexen-1-yl)thio)acetic acid|Nonanoic acid,2-heptyl-,ethyl ester|2-(2,5-dioxocyclohex-3-en-1-yl)sulfanylacetic acid|[(2,5-Dioxo-3-cyclohexenyl)thio]acetic acid|ACETIC ACID, ((2,5-DIOXO-3-CYCLOHEXEN-1-YL)THIO)-|[(2,5-dioxocyclohex-3-en-1-yl)sulfanyl]acetic acid|Acetic acid, [(2,5-dioxo-3-cyclohexen-1-yl)thio]-|2-[(2,5-dioxocyclohex-3-en-1-yl)sulfanyl]acetic acid|DB-290346
Technical Specifications
| Molecular Formula | C8H8O4S |
| Molecular Weight | 200.01433 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.01433 Da |
| Heavy Atoms | 13 |
| Complexity | 282.0 |
| SMILES | C1C(C(=O)C=CC1=O)SCC(=O)O |
| InChIKey | XLWKTDSFCJIEQG-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-
Property Insights of Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-. Following Lipinski's Rule of Five, Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)- has 1 hydrogen bond donor(s) and 5 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, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-?
The CAS number of Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)- is 63905-80-6.
What is the molecular formula of Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-?
The molecular formula of Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)- is C8H8O4S.
What is the molecular weight of Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-?
The molecular weight of Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)- is 200.01433 g/mol.
Where can I buy Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-?
You can request a quote for Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)-?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((2,5-dioxo-3-cyclohexen-1-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.