2-Acetylthioacetophenone
TL;DR: 2-Acetylthioacetophenone (CAS 53392-49-7) is a chemical compound with molecular formula C10H10O2S and molecular weight 194.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenacyl ethanethioate
Also Known As: 2-Acetylthioacetophenone, S-phenacyl ethanethioate, phenacyl thioacetate, Phenylacyl-S-thioacetate, ACETYLTHIOACETOPHENONE97
| Molecular Formula | C10H10O2S |
|---|---|
| Molecular Weight | 194.04 g/mol |
| LogP | 2.149 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.04015 |
| Heavy Atoms | 13 |
| Complexity | 305.9606 |
Chemical Identifiers
| CAS Number | 53392-49-7 |
|---|---|
| SMILES | CC(=O)SCC(=O)C1=CC=CC=C1 |
Product Overview
2-Acetylthioacetophenone (CAS 53392-49-7), with molecular formula C10H10O2S and molecular weight 194.04 g/mol. IUPAC: S-phenacyl ethanethioate.
Chemical Property Profile of 2-Acetylthioacetophenone
Property Insights of 2-Acetylthioacetophenone
The XLogP value of 2.149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetylthioacetophenone. With a topological polar surface area (TPSA) of 34.14 Ų, 2-Acetylthioacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetylthioacetophenone 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 2-Acetylthioacetophenone?
The CAS number of 2-Acetylthioacetophenone is 53392-49-7.
What is the molecular formula of 2-Acetylthioacetophenone?
The molecular formula of 2-Acetylthioacetophenone is C10H10O2S.
What is the molecular weight of 2-Acetylthioacetophenone?
The molecular weight of 2-Acetylthioacetophenone is 194.04 g/mol.
Where can I buy 2-Acetylthioacetophenone?
You can request a quote for 2-Acetylthioacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetylthioacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetylthioacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.