O-辛基二硫代碳酸氢酯
TL;DR: O-辛基二硫代碳酸氢酯 (CAS 6253-37-8) is a chemical compound with molecular formula C9H18OS2 and molecular weight 206.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-辛基二硫代碳酸氢酯
octoxymethanedithioic acid
Also Known As: octyl xanthate, O-Octyl hydrogen dithiocarbonate, octoxymethanedithioic acid, O-octyl hydrogen carbonodithioate, methanedithioic acid, octyloxy-
| Molecular Formula | C9H18OS2 |
|---|---|
| Molecular Weight | 206.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 206.07991 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 6253-37-8 |
|---|---|
| SMILES | CCCCCCCCOC(=S)S |
| InChIKey | FYHQYEVHSYHJHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-辛基二硫代碳酸氢酯 (CAS 6253-37-8), with molecular formula C9H18OS2 and molecular weight 206.08 g/mol. IUPAC: octoxymethanedithioic acid.
Chemical Property Profile of O-辛基二硫代碳酸氢酯
Property Insights of O-辛基二硫代碳酸氢酯
The XLogP value of 4.6 indicates that O-辛基二硫代碳酸氢酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, O-辛基二硫代碳酸氢酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-辛基二硫代碳酸氢酯 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 O-辛基二硫代碳酸氢酯?
The CAS number of O-辛基二硫代碳酸氢酯 is 6253-37-8.
What is the molecular formula of O-辛基二硫代碳酸氢酯?
The molecular formula of O-辛基二硫代碳酸氢酯 is C9H18OS2.
What is the molecular weight of O-辛基二硫代碳酸氢酯?
The molecular weight of O-辛基二硫代碳酸氢酯 is 206.08 g/mol.
Where can I buy O-辛基二硫代碳酸氢酯?
You can request a quote for O-辛基二硫代碳酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-辛基二硫代碳酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for O-辛基二硫代碳酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.