Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester
TL;DR: Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester (CAS 10193-95-0) is a chemical compound with molecular formula C8H14O4S2 and molecular weight 238.03336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
Also Known As: 1,4-Butanediol Bis(thioglycolate), 1,4-Butanediol dithioglycolate, Tetramethylene mercaptoacetate, Tetramethylene bis(thioglycolate), Acetic acid, mercapto-, 1,4-butanediyl ester
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O4S2 |
| Molecular Weight | 238.03336 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 238.03336 Da |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
| SMILES | C(CCOC(=O)CS)COC(=O)CS |
| InChIKey | IPNDIMIIGZSERC-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester
Property Insights of Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester. With a topological polar surface area (TPSA) of 54.6 Ų, Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester has 2 hydrogen bond donor(s) and 6 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-mercapto-, 1,1'-(1,4-butanediyl) ester?
The CAS number of Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester is 10193-95-0.
What is the molecular formula of Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester?
The molecular formula of Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester is C8H14O4S2.
What is the molecular weight of Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester?
The molecular weight of Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester is 238.03336 g/mol.
Where can I buy Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester?
You can request a quote for Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.