S-benzhydryl S-methyl dithiocarbonate
TL;DR: S-benzhydryl S-methyl dithiocarbonate (CAS 79593-57-0) is a chemical compound with molecular formula C15H14OS2 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzhydrylsulfanyl(methylsulfanyl)methanone
Also Known As: S-benzhydryl S-methyl dithiocarbonate, benzhydrylsulfanyl(methylsulfanyl)methanone, Benzhydrylsulfanyl-methylsulfanyl-methanone, s-diphenylmethyl s'-methyl dithiocarbonate
| Molecular Formula | C15H14OS2 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 4.9922 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0486 |
| Heavy Atoms | 18 |
| Complexity | 456.91675 |
Chemical Identifiers
| CAS Number | 79593-57-0 |
|---|---|
| SMILES | CSC(=O)SC(C1=CC=CC=C1)C2=CC=CC=C2 |
Product Overview
S-benzhydryl S-methyl dithiocarbonate (CAS 79593-57-0), with molecular formula C15H14OS2 and molecular weight 274.05 g/mol. IUPAC: benzhydrylsulfanyl(methylsulfanyl)methanone.
Chemical Property Profile of S-benzhydryl S-methyl dithiocarbonate
Property Insights of S-benzhydryl S-methyl dithiocarbonate
The XLogP value of 4.9922 indicates that S-benzhydryl S-methyl dithiocarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, S-benzhydryl S-methyl dithiocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-benzhydryl S-methyl 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-benzhydryl S-methyl dithiocarbonate?
The CAS number of S-benzhydryl S-methyl dithiocarbonate is 79593-57-0.
What is the molecular formula of S-benzhydryl S-methyl dithiocarbonate?
The molecular formula of S-benzhydryl S-methyl dithiocarbonate is C15H14OS2.
What is the molecular weight of S-benzhydryl S-methyl dithiocarbonate?
The molecular weight of S-benzhydryl S-methyl dithiocarbonate is 274.05 g/mol.
Where can I buy S-benzhydryl S-methyl dithiocarbonate?
You can request a quote for S-benzhydryl S-methyl dithiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-benzhydryl S-methyl dithiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for S-benzhydryl S-methyl dithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.