s-Methyl o-(4-methylpentan-2-yl) carbonodithioate
TL;DR: s-Methyl o-(4-methylpentan-2-yl) carbonodithioate (CAS 6278-92-8) is a chemical compound with molecular formula C8H16OS2 and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-(4-methylpentan-2-yl) methylsulfanylmethanethioate
Also Known As: s-methyl o-(4-methylpentan-2-yl) carbonodithioate, O-(4-methylpentan-2-yl) methylsulfanylmethanethioate
| Molecular Formula | C8H16OS2 |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.06425 |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 6278-92-8 |
|---|---|
| SMILES | CC(C)CC(C)OC(=S)SC |
| InChIKey | NYVAOWRDLGNLRW-UHFFFAOYSA-N |
Product Overview
s-Methyl o-(4-methylpentan-2-yl) carbonodithioate (CAS 6278-92-8), with molecular formula C8H16OS2 and molecular weight 192.06 g/mol. IUPAC: O-(4-methylpentan-2-yl) methylsulfanylmethanethioate.
Chemical Property Profile of s-Methyl o-(4-methylpentan-2-yl) carbonodithioate
Property Insights of s-Methyl o-(4-methylpentan-2-yl) carbonodithioate
The XLogP value of 3.8 indicates that s-Methyl o-(4-methylpentan-2-yl) carbonodithioate 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 s-Methyl o-(4-methylpentan-2-yl) carbonodithioate. Following Lipinski's Rule of Five, s-Methyl o-(4-methylpentan-2-yl) 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 s-Methyl o-(4-methylpentan-2-yl) carbonodithioate?
The CAS number of s-Methyl o-(4-methylpentan-2-yl) carbonodithioate is 6278-92-8.
What is the molecular formula of s-Methyl o-(4-methylpentan-2-yl) carbonodithioate?
The molecular formula of s-Methyl o-(4-methylpentan-2-yl) carbonodithioate is C8H16OS2.
What is the molecular weight of s-Methyl o-(4-methylpentan-2-yl) carbonodithioate?
The molecular weight of s-Methyl o-(4-methylpentan-2-yl) carbonodithioate is 192.06 g/mol.
Where can I buy s-Methyl o-(4-methylpentan-2-yl) carbonodithioate?
You can request a quote for s-Methyl o-(4-methylpentan-2-yl) carbonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Methyl o-(4-methylpentan-2-yl) carbonodithioate?
Yes, KEHONG BIO provides custom synthesis services for s-Methyl o-(4-methylpentan-2-yl) carbonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.