2-Phenylsulfanylacetate
TL;DR: 2-Phenylsulfanylacetate (CAS 4358-92-3) is a chemical compound with molecular formula C8H7O2S- and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylacetate
Also Known As: (phenylthio)acetate, 2-phenylsulfanylacetate, (phenylthio)acetate ion, I09-1396
| Molecular Formula | C8H7O2S- |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 0.5286 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.01668 |
| Heavy Atoms | 11 |
| Complexity | 233.1072 |
Chemical Identifiers
| CAS Number | 4358-92-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCC(=O)[O-] |
Product Overview
2-Phenylsulfanylacetate (CAS 4358-92-3), with molecular formula C8H7O2S- and molecular weight 167.02 g/mol. IUPAC: 2-phenylsulfanylacetate.
Chemical Property Profile of 2-Phenylsulfanylacetate
Property Insights of 2-Phenylsulfanylacetate
The XLogP value of 0.5286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylsulfanylacetate. With a topological polar surface area (TPSA) of 40.13 Ų, 2-Phenylsulfanylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylsulfanylacetate 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 2-Phenylsulfanylacetate?
The CAS number of 2-Phenylsulfanylacetate is 4358-92-3.
What is the molecular formula of 2-Phenylsulfanylacetate?
The molecular formula of 2-Phenylsulfanylacetate is C8H7O2S-.
What is the molecular weight of 2-Phenylsulfanylacetate?
The molecular weight of 2-Phenylsulfanylacetate is 167.02 g/mol.
Where can I buy 2-Phenylsulfanylacetate?
You can request a quote for 2-Phenylsulfanylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylsulfanylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylsulfanylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.