Methyl 2-(phenylthio)propanoate
TL;DR: Methyl 2-(phenylthio)propanoate (CAS 21673-18-7) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-phenylsulfanylpropanoate
Also Known As: ghl.PD_Mitscher_leg0.420, Methyl 2-(phenylthio)propanoate, methyl 2-phenylsulfanylpropanoate, methyl 2-(phenylsulfanyl)propanoate, methyl 2-methylphenylsulfanylacetate
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.3402 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 271.51306 |
Chemical Identifiers
| CAS Number | 21673-18-7 |
|---|---|
| SMILES | CC(C(=O)OC)SC1=CC=CC=C1 |
Product Overview
Methyl 2-(phenylthio)propanoate (CAS 21673-18-7), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: methyl 2-phenylsulfanylpropanoate.
Chemical Property Profile of Methyl 2-(phenylthio)propanoate
Property Insights of Methyl 2-(phenylthio)propanoate
The XLogP value of 2.3402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(phenylthio)propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-(phenylthio)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(phenylthio)propanoate 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 Methyl 2-(phenylthio)propanoate?
The CAS number of Methyl 2-(phenylthio)propanoate is 21673-18-7.
What is the molecular formula of Methyl 2-(phenylthio)propanoate?
The molecular formula of Methyl 2-(phenylthio)propanoate is C10H12O2S.
What is the molecular weight of Methyl 2-(phenylthio)propanoate?
The molecular weight of Methyl 2-(phenylthio)propanoate is 196.06 g/mol.
Where can I buy Methyl 2-(phenylthio)propanoate?
You can request a quote for Methyl 2-(phenylthio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(phenylthio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(phenylthio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.