O-Benzyl S-methyl dithiocarbonate
TL;DR: O-Benzyl S-methyl dithiocarbonate (CAS 28925-45-3) is a chemical compound with molecular formula C9H10OS2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-benzyl methylsulfanylmethanethioate
Also Known As: O-benzyl S-methyl dithiocarbonate, S-methyl O-benzyl dithiocarbonate, O-phenylmethyl-S-methyl dithiocarbonate, O-benzyl methylsulfanylmethanethioate, (benzyloxy)(methylsulfanyl)methanethione
| Molecular Formula | C9H10OS2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 2.8511 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0173 |
| Heavy Atoms | 12 |
| Complexity | 245.96527 |
Chemical Identifiers
| CAS Number | 28925-45-3 |
|---|---|
| SMILES | CSC(=S)OCC1=CC=CC=C1 |
Product Overview
O-Benzyl S-methyl dithiocarbonate (CAS 28925-45-3), with molecular formula C9H10OS2 and molecular weight 198.02 g/mol. IUPAC: O-benzyl methylsulfanylmethanethioate.
Chemical Property Profile of O-Benzyl S-methyl dithiocarbonate
Property Insights of O-Benzyl S-methyl dithiocarbonate
The XLogP value of 2.8511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Benzyl S-methyl dithiocarbonate. With a topological polar surface area (TPSA) of 9.23 Ų, O-Benzyl S-methyl dithiocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Benzyl 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 O-Benzyl S-methyl dithiocarbonate?
The CAS number of O-Benzyl S-methyl dithiocarbonate is 28925-45-3.
What is the molecular formula of O-Benzyl S-methyl dithiocarbonate?
The molecular formula of O-Benzyl S-methyl dithiocarbonate is C9H10OS2.
What is the molecular weight of O-Benzyl S-methyl dithiocarbonate?
The molecular weight of O-Benzyl S-methyl dithiocarbonate is 198.02 g/mol.
Where can I buy O-Benzyl S-methyl dithiocarbonate?
You can request a quote for O-Benzyl 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 O-Benzyl S-methyl dithiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for O-Benzyl S-methyl dithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.