S-Methyl O-(2-methylcyclohexyl) dithiocarbonate
TL;DR: S-Methyl O-(2-methylcyclohexyl) dithiocarbonate (CAS 15288-12-7) is a chemical compound with molecular formula C9H16OS2 and molecular weight 204.06425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-(2-methylcyclohexyl) methylsulfanylmethanethioate
Also Known As: S-METHYL O-(2-METHYLCYCLOHEXYL) DITHIOCARBONATE, S-methyl O-(2-methylcyclohexyl) carbonodithioate, O-(2-methylcyclohexyl) methylsulfanylmethanethioate, Carbonic acid, dithio-, S-methyl O-(2-methylcyclohexyl) ester, cis-
Technical Specifications
| Molecular Formula | C9H16OS2 |
| Molecular Weight | 204.06425 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.06425 Da |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
| SMILES | CC1CCCCC1OC(=S)SC |
| InChIKey | ZZKPGUFSXXIGEN-UHFFFAOYSA-N |
Chemical Property Profile of S-Methyl O-(2-methylcyclohexyl) dithiocarbonate
Property Insights of S-Methyl O-(2-methylcyclohexyl) dithiocarbonate
The XLogP value of 3.9 indicates that S-Methyl O-(2-methylcyclohexyl) dithiocarbonate 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-(2-methylcyclohexyl) dithiocarbonate. Following Lipinski's Rule of Five, S-Methyl O-(2-methylcyclohexyl) 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
What is the CAS number of S-Methyl O-(2-methylcyclohexyl) dithiocarbonate?
The CAS number of S-Methyl O-(2-methylcyclohexyl) dithiocarbonate is 15288-12-7.
What is the molecular formula of S-Methyl O-(2-methylcyclohexyl) dithiocarbonate?
The molecular formula of S-Methyl O-(2-methylcyclohexyl) dithiocarbonate is C9H16OS2.
What is the molecular weight of S-Methyl O-(2-methylcyclohexyl) dithiocarbonate?
The molecular weight of S-Methyl O-(2-methylcyclohexyl) dithiocarbonate is 204.06425 g/mol.
Where can I buy S-Methyl O-(2-methylcyclohexyl) dithiocarbonate?
You can request a quote for S-Methyl O-(2-methylcyclohexyl) dithiocarbonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-Methyl O-(2-methylcyclohexyl) dithiocarbonate?
Yes, CoreyChem provides custom synthesis services for S-Methyl O-(2-methylcyclohexyl) dithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.