环己氧基二硫代甲酸
TL;DR: 环己氧基二硫代甲酸 (CAS 6281-45-4) is a chemical compound with molecular formula C7H12OS2 and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环己氧基二硫代甲酸
cyclohexyloxymethanedithioic acid
Also Known As: cyclohexyloxymethanedithioic acid, cyclohexoxymethanedithioic acid, cyclohexyl sulfanylmethanethioate, methanedithioic acid, cyclohexyloxy-, Dithiocarbonic acid O-cyclohexyl ester
| Molecular Formula | C7H12OS2 |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.03296 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 6281-45-4 |
|---|---|
| SMILES | C1CCC(CC1)OC(=S)S |
| InChIKey | ZAEIUGBGNZYPDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己氧基二硫代甲酸 (CAS 6281-45-4), with molecular formula C7H12OS2 and molecular weight 176.03 g/mol. IUPAC: cyclohexyloxymethanedithioic acid.
Chemical Property Profile of 环己氧基二硫代甲酸
Property Insights of 环己氧基二硫代甲酸
The XLogP value of 3.1 indicates that 环己氧基二硫代甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.3 Ų, 环己氧基二硫代甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 环己氧基二硫代甲酸 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 环己氧基二硫代甲酸?
The CAS number of 环己氧基二硫代甲酸 is 6281-45-4.
What is the molecular formula of 环己氧基二硫代甲酸?
The molecular formula of 环己氧基二硫代甲酸 is C7H12OS2.
What is the molecular weight of 环己氧基二硫代甲酸?
The molecular weight of 环己氧基二硫代甲酸 is 176.03 g/mol.
Where can I buy 环己氧基二硫代甲酸?
You can request a quote for 环己氧基二硫代甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己氧基二硫代甲酸?
Yes, KEHONG BIO provides custom synthesis services for 环己氧基二硫代甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.