Ethanethione, 1-phenyl-
TL;DR: Ethanethione, 1-phenyl- (CAS 16696-68-7) is a chemical compound with molecular formula C8H8S and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethanethione
Also Known As: 1-phenylethanethione, Thioacetophenon, thioacetophenone, Ethanethione, 1-phenyl-, Ethanethione,1-phenyl-
| Molecular Formula | C8H8S |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.03467 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 16696-68-7 |
|---|---|
| SMILES | CC(=S)C1=CC=CC=C1 |
| InChIKey | QFMNMSJTKVHTSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanethione, 1-phenyl- (CAS 16696-68-7), with molecular formula C8H8S and molecular weight 136.03 g/mol. IUPAC: 1-phenylethanethione.
Chemical Property Profile of Ethanethione, 1-phenyl-
Property Insights of Ethanethione, 1-phenyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethione, 1-phenyl-. With a topological polar surface area (TPSA) of 32.1 Ų, Ethanethione, 1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethione, 1-phenyl- has 0 hydrogen bond donor(s) and 1 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 Ethanethione, 1-phenyl-?
The CAS number of Ethanethione, 1-phenyl- is 16696-68-7.
What is the molecular formula of Ethanethione, 1-phenyl-?
The molecular formula of Ethanethione, 1-phenyl- is C8H8S.
What is the molecular weight of Ethanethione, 1-phenyl-?
The molecular weight of Ethanethione, 1-phenyl- is 136.03 g/mol.
Where can I buy Ethanethione, 1-phenyl-?
You can request a quote for Ethanethione, 1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethione, 1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethione, 1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.