(Phenylthio)acetic acid, propyl ester
TL;DR: (Phenylthio)acetic acid, propyl ester (CAS 174872-90-3) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-phenylsulfanylacetate
Also Known As: Propyl (phenylthio)acetate, propyl 2-phenylsulfanylacetate, (Phenylthio)acetic acid, propyl ester, Propyl (phenylsulfanyl)acetate, (Phenylthio)acetic acid propyl ester
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 174872-90-3 |
|---|---|
| SMILES | CCCOC(=O)CSC1=CC=CC=C1 |
| InChIKey | PGNCCKPNZYBMHV-UHFFFAOYSA-N |
Product Overview
(Phenylthio)acetic acid, propyl ester (CAS 174872-90-3), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: propyl 2-phenylsulfanylacetate.
Chemical Property Profile of (Phenylthio)acetic acid, propyl ester
Property Insights of (Phenylthio)acetic acid, propyl ester
The XLogP value of 3.2 indicates that (Phenylthio)acetic acid, propyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, (Phenylthio)acetic acid, propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Phenylthio)acetic acid, propyl ester 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 (Phenylthio)acetic acid, propyl ester?
The CAS number of (Phenylthio)acetic acid, propyl ester is 174872-90-3.
What is the molecular formula of (Phenylthio)acetic acid, propyl ester?
The molecular formula of (Phenylthio)acetic acid, propyl ester is C11H14O2S.
What is the molecular weight of (Phenylthio)acetic acid, propyl ester?
The molecular weight of (Phenylthio)acetic acid, propyl ester is 210.07 g/mol.
Where can I buy (Phenylthio)acetic acid, propyl ester?
You can request a quote for (Phenylthio)acetic acid, propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Phenylthio)acetic acid, propyl ester?
Yes, KEHONG BIO provides custom synthesis services for (Phenylthio)acetic acid, propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.