2-乙酰基噻吩
TL;DR: 2-乙酰基噻吩 (CAS 88-15-3) is a chemical compound with molecular formula C6H6OS and molecular weight 126.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰基噻吩
1-thiophen-2-ylethanone
Also Known As: 2-ACETYLTHIOPHENE, 2-Acetothienone, 2-Acetothiophene, 1-(2-Thienyl)ethanone, Methyl 2-thienyl ketone
| Molecular Formula | C6H6OS |
|---|---|
| Molecular Weight | 126.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.01394 |
| Heavy Atoms | 8 |
| Complexity | 101.0 |
| Melting Point | 9 °C |
| Boiling Point | 213.00 °C. @ 760.00 mm Hg |
| Solubility | 14 mg/mL at 30 °C |
| Vapor Pressure | 0.36 [mmHg] |
Chemical Identifiers
| CAS Number | 88-15-3 |
|---|---|
| SMILES | CC(=O)C1=CC=CS1 |
| InChIKey | WYJOVVXUZNRJQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-乙酰基噻吩 (CAS 88-15-3), with molecular formula C6H6OS and molecular weight 126.01 g/mol. IUPAC: 1-thiophen-2-ylethanone.
Chemical Property Profile of 2-乙酰基噻吩
Property Insights of 2-乙酰基噻吩
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰基噻吩. With a topological polar surface area (TPSA) of 45.3 Ų, 2-乙酰基噻吩 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-乙酰基噻吩 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 2-乙酰基噻吩?
The CAS number of 2-乙酰基噻吩 is 88-15-3.
What is the molecular formula of 2-乙酰基噻吩?
The molecular formula of 2-乙酰基噻吩 is C6H6OS.
What is the molecular weight of 2-乙酰基噻吩?
The molecular weight of 2-乙酰基噻吩 is 126.01 g/mol.
Where can I buy 2-乙酰基噻吩?
You can request a quote for 2-乙酰基噻吩 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰基噻吩?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰基噻吩 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.