5-methyl-3(2H)-thiophenone
TL;DR: 5-methyl-3(2H)-thiophenone (CAS 121781-88-2) is a chemical compound with molecular formula C5H6OS and molecular weight 114.01394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methylthiophen-3-one
Also Known As: 5-methylthiophen-3-one, 5-methyl-3(2H)-thiophenone, 5-methyl-thiophen-3-one, 5-Methylthiophen-3(2H)-one, 3(2H)-Thiophenone, 5-methyl-
Technical Specifications
| Molecular Formula | C5H6OS |
| Molecular Weight | 114.01394 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.01394 Da |
| Heavy Atoms | 7 |
| Complexity | 126.0 |
| SMILES | CC1=CC(=O)CS1 |
| InChIKey | ZFBVNLODJBMXPQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-methyl-3(2H)-thiophenone
Property Insights of 5-methyl-3(2H)-thiophenone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-3(2H)-thiophenone. With a topological polar surface area (TPSA) of 42.4 Ų, 5-methyl-3(2H)-thiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-3(2H)-thiophenone 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
What is the CAS number of 5-methyl-3(2H)-thiophenone?
The CAS number of 5-methyl-3(2H)-thiophenone is 121781-88-2.
What is the molecular formula of 5-methyl-3(2H)-thiophenone?
The molecular formula of 5-methyl-3(2H)-thiophenone is C5H6OS.
What is the molecular weight of 5-methyl-3(2H)-thiophenone?
The molecular weight of 5-methyl-3(2H)-thiophenone is 114.01394 g/mol.
Where can I buy 5-methyl-3(2H)-thiophenone?
You can request a quote for 5-methyl-3(2H)-thiophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-methyl-3(2H)-thiophenone?
Yes, CoreyChem provides custom synthesis services for 5-methyl-3(2H)-thiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.