Methylsulfanyl(phenylsulfanyl)methanone
TL;DR: Methylsulfanyl(phenylsulfanyl)methanone (CAS 13509-29-0) is a chemical compound with molecular formula C8H8OS2 and molecular weight 184.00166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methylsulfanyl(phenylsulfanyl)methanone
Also Known As: methylsulfanyl(phenylsulfanyl)methanone, s-phenyl s-methyl dithiocarbonate, S-Methyl S-phenyl dithiocarbonate, S-methyl S-phenyl carbonodithioate, S-Methyl S-phenyl dithiocarbonate #
Technical Specifications
| Molecular Formula | C8H8OS2 |
| Molecular Weight | 184.00166 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.00166 Da |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
| SMILES | CSC(=O)SC1=CC=CC=C1 |
| InChIKey | MSXKMQPVMYECGD-UHFFFAOYSA-N |
Chemical Property Profile of Methylsulfanyl(phenylsulfanyl)methanone
Property Insights of Methylsulfanyl(phenylsulfanyl)methanone
The XLogP value of 3.2 indicates that Methylsulfanyl(phenylsulfanyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylsulfanyl(phenylsulfanyl)methanone. Following Lipinski's Rule of Five, Methylsulfanyl(phenylsulfanyl)methanone 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 Methylsulfanyl(phenylsulfanyl)methanone?
The CAS number of Methylsulfanyl(phenylsulfanyl)methanone is 13509-29-0.
What is the molecular formula of Methylsulfanyl(phenylsulfanyl)methanone?
The molecular formula of Methylsulfanyl(phenylsulfanyl)methanone is C8H8OS2.
What is the molecular weight of Methylsulfanyl(phenylsulfanyl)methanone?
The molecular weight of Methylsulfanyl(phenylsulfanyl)methanone is 184.00166 g/mol.
Where can I buy Methylsulfanyl(phenylsulfanyl)methanone?
You can request a quote for Methylsulfanyl(phenylsulfanyl)methanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylsulfanyl(phenylsulfanyl)methanone?
Yes, CoreyChem provides custom synthesis services for Methylsulfanyl(phenylsulfanyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.