Methyl benzenesulfinate
TL;DR: Methyl benzenesulfinate (CAS 112425-42-0) is a chemical compound with molecular formula C7H8O2S and molecular weight 156.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl benzenesulfinate
Also Known As: Methyl benzenesulfinate, methyl phenylsulfinate, null, methylbenZENESULFINATE, Methoxysulfinylbenzene
| Molecular Formula | C7H8O2S |
|---|---|
| Molecular Weight | 156.02 g/mol |
| LogP | 1.3556 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0245 |
| Heavy Atoms | 10 |
| Complexity | 220.30753 |
Chemical Identifiers
| CAS Number | 112425-42-0 |
|---|---|
| SMILES | COS(=O)C1=CC=CC=C1 |
Product Overview
Methyl benzenesulfinate (CAS 112425-42-0), with molecular formula C7H8O2S and molecular weight 156.02 g/mol. IUPAC: methyl benzenesulfinate.
Chemical Property Profile of Methyl benzenesulfinate
Property Insights of Methyl benzenesulfinate
The XLogP value of 1.3556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl benzenesulfinate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl benzenesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl benzenesulfinate has 0 hydrogen bond donor(s) and 2 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 Methyl benzenesulfinate?
The CAS number of Methyl benzenesulfinate is 112425-42-0.
What is the molecular formula of Methyl benzenesulfinate?
The molecular formula of Methyl benzenesulfinate is C7H8O2S.
What is the molecular weight of Methyl benzenesulfinate?
The molecular weight of Methyl benzenesulfinate is 156.02 g/mol.
Where can I buy Methyl benzenesulfinate?
You can request a quote for Methyl benzenesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl benzenesulfinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl benzenesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.