Hexyl-xanthic acid
TL;DR: Hexyl-xanthic acid (CAS 6791-11-3) is a chemical compound with molecular formula C7H14OS2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexoxymethanedithioic acid
Also Known As: Hexyl xanthate, hexyl-xanthic acid, Hexoxymethanedithioic Acid, hexyl sulfanylmethanethioate, dithiocarbonic acid O-hexyl ester
| Molecular Formula | C7H14OS2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 178.04861 |
| Heavy Atoms | 10 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 6791-11-3 |
|---|---|
| SMILES | CCCCCCOC(=S)S |
| InChIKey | IDTYIZVHFFKWAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexyl-xanthic acid (CAS 6791-11-3), with molecular formula C7H14OS2 and molecular weight 178.05 g/mol. IUPAC: hexoxymethanedithioic acid.
Chemical Property Profile of Hexyl-xanthic acid
Property Insights of Hexyl-xanthic acid
The XLogP value of 3.6 indicates that Hexyl-xanthic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, Hexyl-xanthic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl-xanthic acid has 1 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 Hexyl-xanthic acid?
The CAS number of Hexyl-xanthic acid is 6791-11-3.
What is the molecular formula of Hexyl-xanthic acid?
The molecular formula of Hexyl-xanthic acid is C7H14OS2.
What is the molecular weight of Hexyl-xanthic acid?
The molecular weight of Hexyl-xanthic acid is 178.05 g/mol.
Where can I buy Hexyl-xanthic acid?
You can request a quote for Hexyl-xanthic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl-xanthic acid?
Yes, KEHONG BIO provides custom synthesis services for Hexyl-xanthic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.