Ethanethioic acid, S-phenyl ester
TL;DR: Ethanethioic acid, S-phenyl ester (CAS 934-87-2) is a chemical compound with molecular formula C8H8OS and molecular weight 152.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl ethanethioate
Also Known As: S-Phenyl thioacetate, S-Phenyl ethanethioate, Thiophenyl acetate, S-PHENYLTHIOACETATE, Phenyl thioacetate
| Molecular Formula | C8H8OS |
|---|---|
| Molecular Weight | 152.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.02959 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 934-87-2 |
|---|---|
| SMILES | CC(=O)SC1=CC=CC=C1 |
| InChIKey | WBISVCLTLBMTDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanethioic acid, S-phenyl ester (CAS 934-87-2), with molecular formula C8H8OS and molecular weight 152.03 g/mol. IUPAC: S-phenyl ethanethioate.
Chemical Property Profile of Ethanethioic acid, S-phenyl ester
Property Insights of Ethanethioic acid, S-phenyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioic acid, S-phenyl ester. With a topological polar surface area (TPSA) of 42.4 Ų, Ethanethioic acid, S-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioic acid, S-phenyl ester 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 Ethanethioic acid, S-phenyl ester?
The CAS number of Ethanethioic acid, S-phenyl ester is 934-87-2.
What is the molecular formula of Ethanethioic acid, S-phenyl ester?
The molecular formula of Ethanethioic acid, S-phenyl ester is C8H8OS.
What is the molecular weight of Ethanethioic acid, S-phenyl ester?
The molecular weight of Ethanethioic acid, S-phenyl ester is 152.03 g/mol.
Where can I buy Ethanethioic acid, S-phenyl ester?
You can request a quote for Ethanethioic acid, S-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioic acid, S-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioic acid, S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.