S-methyl O-(1-methylheptyl) dithiocarbonate
TL;DR: S-methyl O-(1-methylheptyl) dithiocarbonate (CAS 35812-27-2) is a chemical compound with molecular formula C10H20OS2 and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-octan-2-yl methylsulfanylmethanethioate
Also Known As: S-methyl O-octan-2-yl carbonodithioate, O-octan-2-yl methylsulfanylmethanethioate, Methylsulfanyl-octan-2-yloxy-methanethione, S-methyl O-(1-methylheptyl) dithiocarbonate
| Molecular Formula | C10H20OS2 |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 4.0098 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.09555 |
| Heavy Atoms | 13 |
| Complexity | 136.88643 |
Chemical Identifiers
| CAS Number | 35812-27-2 |
|---|---|
| SMILES | CCCCCCC(C)OC(=S)SC |
Product Overview
S-methyl O-(1-methylheptyl) dithiocarbonate (CAS 35812-27-2), with molecular formula C10H20OS2 and molecular weight 220.10 g/mol. IUPAC: O-octan-2-yl methylsulfanylmethanethioate.
Chemical Property Profile of S-methyl O-(1-methylheptyl) dithiocarbonate
Property Insights of S-methyl O-(1-methylheptyl) dithiocarbonate
The XLogP value of 4.0098 indicates that S-methyl O-(1-methylheptyl) dithiocarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, S-methyl O-(1-methylheptyl) dithiocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-methyl O-(1-methylheptyl) dithiocarbonate 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-(1-methylheptyl) dithiocarbonate?
The CAS number of S-methyl O-(1-methylheptyl) dithiocarbonate is 35812-27-2.
What is the molecular formula of S-methyl O-(1-methylheptyl) dithiocarbonate?
The molecular formula of S-methyl O-(1-methylheptyl) dithiocarbonate is C10H20OS2.
What is the molecular weight of S-methyl O-(1-methylheptyl) dithiocarbonate?
The molecular weight of S-methyl O-(1-methylheptyl) dithiocarbonate is 220.10 g/mol.
Where can I buy S-methyl O-(1-methylheptyl) dithiocarbonate?
You can request a quote for S-methyl O-(1-methylheptyl) dithiocarbonate 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-(1-methylheptyl) dithiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for S-methyl O-(1-methylheptyl) dithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.