Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester
TL;DR: Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester (CAS 69943-68-6) is a chemical compound with molecular formula C6H12OS2 and molecular weight 164.03296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-(2-methylpropyl) methylsulfanylmethanethioate
Also Known As: Methyl O-isobutylxanthate, S-methylO- dithiocarbonate, o-isobutyl s-methyl carbonodithioate, Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester, S-Methyl O-(2-methylpropyl) dithiocarbonate
Technical Specifications
| Molecular Formula | C6H12OS2 |
| Molecular Weight | 164.03296 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 164.03296 Da |
| Heavy Atoms | 9 |
| Complexity | 91.0 |
| SMILES | CC(C)COC(=S)SC |
| InChIKey | HAWQDXROBHHWFI-UHFFFAOYSA-N |
Chemical Property Profile of Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester
Property Insights of Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester
The XLogP value of 3.0 indicates that Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester. Following Lipinski's Rule of Five, Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester 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
What is the CAS number of Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester?
The CAS number of Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester is 69943-68-6.
What is the molecular formula of Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester?
The molecular formula of Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester is C6H12OS2.
What is the molecular weight of Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester?
The molecular weight of Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester is 164.03296 g/mol.
Where can I buy Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester?
You can request a quote for Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester?
Yes, CoreyChem provides custom synthesis services for Carbonodithioic acid, S-methyl O-(2-methylpropyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.