3(2H)-Thiophenone, 2-ethyl-5-methyl-
TL;DR: 3(2H)-Thiophenone, 2-ethyl-5-methyl- (CAS 57556-06-6) is a chemical compound with molecular formula C7H10OS and molecular weight 142.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-methylthiophen-3-one
Also Known As: 2-ethyl-5-methylthiophen-3-one, 3(2H)-Thiophenone, 2-ethyl-5-methyl-, 3(2H)-Thiophenone,2-ethyl-5-methyl-, 2-ethyl-5-methylthiophen-3(2H)-one
| Molecular Formula | C7H10OS |
|---|---|
| Molecular Weight | 142.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.04524 |
| Heavy Atoms | 9 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 57556-06-6 |
|---|---|
| SMILES | CCC1C(=O)C=C(S1)C |
| InChIKey | YHZBSXGIBXASJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(2H)-Thiophenone, 2-ethyl-5-methyl- (CAS 57556-06-6), with molecular formula C7H10OS and molecular weight 142.05 g/mol. IUPAC: 2-ethyl-5-methylthiophen-3-one.
Chemical Property Profile of 3(2H)-Thiophenone, 2-ethyl-5-methyl-
Property Insights of 3(2H)-Thiophenone, 2-ethyl-5-methyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Thiophenone, 2-ethyl-5-methyl-. With a topological polar surface area (TPSA) of 42.4 Ų, 3(2H)-Thiophenone, 2-ethyl-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Thiophenone, 2-ethyl-5-methyl- 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 3(2H)-Thiophenone, 2-ethyl-5-methyl-?
The CAS number of 3(2H)-Thiophenone, 2-ethyl-5-methyl- is 57556-06-6.
What is the molecular formula of 3(2H)-Thiophenone, 2-ethyl-5-methyl-?
The molecular formula of 3(2H)-Thiophenone, 2-ethyl-5-methyl- is C7H10OS.
What is the molecular weight of 3(2H)-Thiophenone, 2-ethyl-5-methyl-?
The molecular weight of 3(2H)-Thiophenone, 2-ethyl-5-methyl- is 142.05 g/mol.
Where can I buy 3(2H)-Thiophenone, 2-ethyl-5-methyl-?
You can request a quote for 3(2H)-Thiophenone, 2-ethyl-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Thiophenone, 2-ethyl-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Thiophenone, 2-ethyl-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.