3-Methyl-2-oxo-2,5-dihydro-thiophene
TL;DR: 3-Methyl-2-oxo-2,5-dihydro-thiophene (CAS 33687-85-3) 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.
4-methyl-2H-thiophen-5-one
Also Known As: 2(5H)-Thiophenone, 3-methyl-, 4-methyl-2H-thiophen-5-one, 3-methyl-2-oxo-2,5-dihydro-thiophene
| Molecular Formula | C5H6OS |
|---|---|
| Molecular Weight | 114.01 g/mol |
| LogP | 1.2061 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.01394 |
| Heavy Atoms | 7 |
| Complexity | 126.04185 |
Chemical Identifiers
| CAS Number | 33687-85-3 |
|---|---|
| SMILES | CC1=CCSC1=O |
Product Overview
3-Methyl-2-oxo-2,5-dihydro-thiophene (CAS 33687-85-3), with molecular formula C5H6OS and molecular weight 114.01 g/mol. IUPAC: 4-methyl-2H-thiophen-5-one.
Chemical Property Profile of 3-Methyl-2-oxo-2,5-dihydro-thiophene
Property Insights of 3-Methyl-2-oxo-2,5-dihydro-thiophene
The XLogP value of 1.2061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-oxo-2,5-dihydro-thiophene. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Methyl-2-oxo-2,5-dihydro-thiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-oxo-2,5-dihydro-thiophene 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-Methyl-2-oxo-2,5-dihydro-thiophene?
The CAS number of 3-Methyl-2-oxo-2,5-dihydro-thiophene is 33687-85-3.
What is the molecular formula of 3-Methyl-2-oxo-2,5-dihydro-thiophene?
The molecular formula of 3-Methyl-2-oxo-2,5-dihydro-thiophene is C5H6OS.
What is the molecular weight of 3-Methyl-2-oxo-2,5-dihydro-thiophene?
The molecular weight of 3-Methyl-2-oxo-2,5-dihydro-thiophene is 114.01 g/mol.
Where can I buy 3-Methyl-2-oxo-2,5-dihydro-thiophene?
You can request a quote for 3-Methyl-2-oxo-2,5-dihydro-thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-oxo-2,5-dihydro-thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-oxo-2,5-dihydro-thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.