Methyl 2-(phenylsulfinyl)acetate
TL;DR: Methyl 2-(phenylsulfinyl)acetate (CAS 14090-83-6) is a chemical compound with molecular formula C9H10O3S and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(benzenesulfinyl)acetate
Also Known As: methyl 2-(benzenesulfinyl)acetate, Methyl 2-phenylsulfinylacetate, 5-Tridecanol, methyl (phenylsulfinyl)acetate, methyl 2-(phenylsulfinyl)acetate
| Molecular Formula | C9H10O3S |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.03506 |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 14090-83-6 |
|---|---|
| SMILES | COC(=O)CS(=O)C1=CC=CC=C1 |
| InChIKey | JPPXZUDQIXZLIL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-(phenylsulfinyl)acetate (CAS 14090-83-6), with molecular formula C9H10O3S and molecular weight 198.04 g/mol. IUPAC: methyl 2-(benzenesulfinyl)acetate.
Chemical Property Profile of Methyl 2-(phenylsulfinyl)acetate
Property Insights of Methyl 2-(phenylsulfinyl)acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(phenylsulfinyl)acetate. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(phenylsulfinyl)acetate. Following Lipinski's Rule of Five, Methyl 2-(phenylsulfinyl)acetate has 0 hydrogen bond donor(s) and 4 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 2-(phenylsulfinyl)acetate?
The CAS number of Methyl 2-(phenylsulfinyl)acetate is 14090-83-6.
What is the molecular formula of Methyl 2-(phenylsulfinyl)acetate?
The molecular formula of Methyl 2-(phenylsulfinyl)acetate is C9H10O3S.
What is the molecular weight of Methyl 2-(phenylsulfinyl)acetate?
The molecular weight of Methyl 2-(phenylsulfinyl)acetate is 198.04 g/mol.
Where can I buy Methyl 2-(phenylsulfinyl)acetate?
You can request a quote for Methyl 2-(phenylsulfinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(phenylsulfinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(phenylsulfinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.