S-phenyl propanethioate
TL;DR: S-phenyl propanethioate (CAS 18245-72-2) is a chemical compound with molecular formula C9H10OS and molecular weight 166.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl propanethioate
Also Known As: S-phenyl propanethioate, S-PHENYL THIOPROPIONATE, 1-phenylsulfanylpropan-1-one, propanethioic acid S-phenyl ester, Propanethioic acid,S-phenyl ester
| Molecular Formula | C9H10OS |
|---|---|
| Molecular Weight | 166.05 g/mol |
| LogP | 2.7153 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.04524 |
| Heavy Atoms | 11 |
| Complexity | 230.57787 |
Chemical Identifiers
| CAS Number | 18245-72-2 |
|---|---|
| SMILES | CCC(=O)SC1=CC=CC=C1 |
Product Overview
S-phenyl propanethioate (CAS 18245-72-2), with molecular formula C9H10OS and molecular weight 166.05 g/mol. IUPAC: S-phenyl propanethioate.
Chemical Property Profile of S-phenyl propanethioate
Property Insights of S-phenyl propanethioate
The XLogP value of 2.7153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-phenyl propanethioate. With a topological polar surface area (TPSA) of 17.07 Ų, S-phenyl propanethioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-phenyl propanethioate 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 S-phenyl propanethioate?
The CAS number of S-phenyl propanethioate is 18245-72-2.
What is the molecular formula of S-phenyl propanethioate?
The molecular formula of S-phenyl propanethioate is C9H10OS.
What is the molecular weight of S-phenyl propanethioate?
The molecular weight of S-phenyl propanethioate is 166.05 g/mol.
Where can I buy S-phenyl propanethioate?
You can request a quote for S-phenyl propanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl propanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl propanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.