1,8-Octanedithiol diacetate
TL;DR: 1,8-Octanedithiol diacetate (CAS 351003-17-3) is a chemical compound with molecular formula C12H22O2S2 and molecular weight 262.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(8-acetylsulfanyloctyl) ethanethioate
Also Known As: 1,8-Octanedithiol diacetate, acetic acid,octane-1,8-dithiol, 18-OCTANEDITHIOLDIACETATE97, 1,8-Octanedithiol diacetate, 97%, S-(8-acetylsulfanyloctyl) ethanethioate
| Molecular Formula | C12H22O2S2 |
|---|---|
| Molecular Weight | 262.11 g/mol |
| LogP | 3.8864 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 262.1061 |
| Heavy Atoms | 16 |
| Complexity | 183.19543 |
Chemical Identifiers
| CAS Number | 351003-17-3 |
|---|---|
| SMILES | CC(=O)SCCCCCCCCSC(=O)C |
Product Overview
1,8-Octanedithiol diacetate (CAS 351003-17-3), with molecular formula C12H22O2S2 and molecular weight 262.11 g/mol. IUPAC: S-(8-acetylsulfanyloctyl) ethanethioate.
Chemical Property Profile of 1,8-Octanedithiol diacetate
Property Insights of 1,8-Octanedithiol diacetate
The XLogP value of 3.8864 indicates that 1,8-Octanedithiol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 1,8-Octanedithiol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Octanedithiol diacetate 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
Frequently Asked Questions
What is the CAS number of 1,8-Octanedithiol diacetate?
The CAS number of 1,8-Octanedithiol diacetate is 351003-17-3.
What is the molecular formula of 1,8-Octanedithiol diacetate?
The molecular formula of 1,8-Octanedithiol diacetate is C12H22O2S2.
What is the molecular weight of 1,8-Octanedithiol diacetate?
The molecular weight of 1,8-Octanedithiol diacetate is 262.11 g/mol.
Where can I buy 1,8-Octanedithiol diacetate?
You can request a quote for 1,8-Octanedithiol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Octanedithiol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Octanedithiol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.