3,7-Dithia-1,9-nonanedithiol
TL;DR: 3,7-Dithia-1,9-nonanedithiol (CAS 25844-57-9) is a chemical compound with molecular formula C7H16S4 and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol
Also Known As: 3,7-Dithia-1,9-nonanedithiol, 37-Dithia-19-nonanedithiol, 1,4,8,11-tetrathiaundecane, 1,4,8,11-tetra-thiaundecane, tetrathia-1,4,8,11-undecane
| Molecular Formula | C7H16S4 |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.01349 |
| Heavy Atoms | 11 |
| Complexity | 59.0 |
Chemical Identifiers
| CAS Number | 25844-57-9 |
|---|---|
| SMILES | C(CSCCS)CSCCS |
| InChIKey | XYHKMRNYSMEEDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dithia-1,9-nonanedithiol (CAS 25844-57-9), with molecular formula C7H16S4 and molecular weight 228.01 g/mol. IUPAC: 2-[3-(2-sulfanylethylsulfanyl)propylsulfanyl]ethanethiol.
Chemical Property Profile of 3,7-Dithia-1,9-nonanedithiol
Property Insights of 3,7-Dithia-1,9-nonanedithiol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dithia-1,9-nonanedithiol. With a topological polar surface area (TPSA) of 52.6 Ų, 3,7-Dithia-1,9-nonanedithiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dithia-1,9-nonanedithiol has 2 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 3,7-Dithia-1,9-nonanedithiol?
The CAS number of 3,7-Dithia-1,9-nonanedithiol is 25844-57-9.
What is the molecular formula of 3,7-Dithia-1,9-nonanedithiol?
The molecular formula of 3,7-Dithia-1,9-nonanedithiol is C7H16S4.
What is the molecular weight of 3,7-Dithia-1,9-nonanedithiol?
The molecular weight of 3,7-Dithia-1,9-nonanedithiol is 228.01 g/mol.
Where can I buy 3,7-Dithia-1,9-nonanedithiol?
You can request a quote for 3,7-Dithia-1,9-nonanedithiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dithia-1,9-nonanedithiol?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dithia-1,9-nonanedithiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.