O-hexyl carbonodithioate
TL;DR: O-hexyl carbonodithioate (CAS 33398-72-0) is a chemical compound with molecular formula C7H13OS2- and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexoxymethanedithioate
Also Known As: hexoxymethanedithioate, O-hexyl carbonodithioate, (Dithiocarbonic acid O-hexyl)anion
| Molecular Formula | C7H13OS2- |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 2.4151 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.04079 |
| Heavy Atoms | 10 |
| Complexity | 93.606895 |
Chemical Identifiers
| CAS Number | 33398-72-0 |
|---|---|
| SMILES | CCCCCCOC(=S)[S-] |
Product Overview
O-hexyl carbonodithioate (CAS 33398-72-0), with molecular formula C7H13OS2- and molecular weight 177.04 g/mol. IUPAC: hexoxymethanedithioate.
Chemical Property Profile of O-hexyl carbonodithioate
Property Insights of O-hexyl carbonodithioate
The XLogP value of 2.4151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-hexyl carbonodithioate. With a topological polar surface area (TPSA) of 9.23 Ų, O-hexyl carbonodithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-hexyl carbonodithioate has 0 hydrogen bond donor(s) and 3 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 O-hexyl carbonodithioate?
The CAS number of O-hexyl carbonodithioate is 33398-72-0.
What is the molecular formula of O-hexyl carbonodithioate?
The molecular formula of O-hexyl carbonodithioate is C7H13OS2-.
What is the molecular weight of O-hexyl carbonodithioate?
The molecular weight of O-hexyl carbonodithioate is 177.04 g/mol.
Where can I buy O-hexyl carbonodithioate?
You can request a quote for O-hexyl carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-hexyl carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for O-hexyl carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.