Acetic acid, thio-, S,S'-hexamethylene ester
TL;DR: Acetic acid, thio-, S,S'-hexamethylene ester (CAS 2678-29-7) is a chemical compound with molecular formula C10H18O2S2 and molecular weight 234.07483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-(6-acetylsulfanylhexyl) ethanethioate
Also Known As: 1,6-Hexanedithiol diacetate, 1,6-Hexanedithiol, S,S'-diacetate, SD 4965, 3,10-Dithiadodecane-2,11-dione, S,S'-hexane-1,6-diyl diethanethioate
Technical Specifications
| Molecular Formula | C10H18O2S2 |
| Molecular Weight | 234.07483 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 234.07483 Da |
| Heavy Atoms | 14 |
| Complexity | 161.0 |
| SMILES | CC(=O)SCCCCCCSC(=O)C |
| InChIKey | CFIOOCBLOLNSED-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, thio-, S,S'-hexamethylene ester
Property Insights of Acetic acid, thio-, S,S'-hexamethylene ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, thio-, S,S'-hexamethylene ester. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, thio-, S,S'-hexamethylene ester. Following Lipinski's Rule of Five, Acetic acid, thio-, S,S'-hexamethylene 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, thio-, S,S'-hexamethylene ester?
The CAS number of Acetic acid, thio-, S,S'-hexamethylene ester is 2678-29-7.
What is the molecular formula of Acetic acid, thio-, S,S'-hexamethylene ester?
The molecular formula of Acetic acid, thio-, S,S'-hexamethylene ester is C10H18O2S2.
What is the molecular weight of Acetic acid, thio-, S,S'-hexamethylene ester?
The molecular weight of Acetic acid, thio-, S,S'-hexamethylene ester is 234.07483 g/mol.
Where can I buy Acetic acid, thio-, S,S'-hexamethylene ester?
You can request a quote for Acetic acid, thio-, S,S'-hexamethylene ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, thio-, S,S'-hexamethylene ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, thio-, S,S'-hexamethylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.