2(5H)-Thiophenone, 5-methyl-
TL;DR: 2(5H)-Thiophenone, 5-methyl- (CAS 7210-64-2) is a chemical compound with molecular formula C5H6OS and molecular weight 114.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2H-thiophen-5-one
Also Known As: 2(5H)-Thiophenone, 5-methyl-, 2-methyl-2H-thiophen-5-one, 2(5H)-Thiophenone,5-methyl-, 5-Methyl-2(5H)-thiophenone, 5-methyl-2,5-dihydrothiophen-2-one
| Molecular Formula | C5H6OS |
|---|---|
| Molecular Weight | 114.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.01394 |
| Heavy Atoms | 7 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 7210-64-2 |
|---|---|
| SMILES | CC1C=CC(=O)S1 |
| InChIKey | QDQVRZPVOVZFMA-UHFFFAOYSA-N |
Product Overview
2(5H)-Thiophenone, 5-methyl- (CAS 7210-64-2), with molecular formula C5H6OS and molecular weight 114.01 g/mol. IUPAC: 2-methyl-2H-thiophen-5-one.
Chemical Property Profile of 2(5H)-Thiophenone, 5-methyl-
Property Insights of 2(5H)-Thiophenone, 5-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(5H)-Thiophenone, 5-methyl-. With a topological polar surface area (TPSA) of 42.4 Ų, 2(5H)-Thiophenone, 5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(5H)-Thiophenone, 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 2(5H)-Thiophenone, 5-methyl-?
The CAS number of 2(5H)-Thiophenone, 5-methyl- is 7210-64-2.
What is the molecular formula of 2(5H)-Thiophenone, 5-methyl-?
The molecular formula of 2(5H)-Thiophenone, 5-methyl- is C5H6OS.
What is the molecular weight of 2(5H)-Thiophenone, 5-methyl-?
The molecular weight of 2(5H)-Thiophenone, 5-methyl- is 114.01 g/mol.
Where can I buy 2(5H)-Thiophenone, 5-methyl-?
You can request a quote for 2(5H)-Thiophenone, 5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(5H)-Thiophenone, 5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(5H)-Thiophenone, 5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.