4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A
TL;DR: 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A (CAS 26486-19-1) is a chemical compound with molecular formula C6H10OS and molecular weight 130.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylthiolan-3-one
Also Known As: 2,5-dimethylthiolan-3-one, 2,5-dimethyldihydrothiophen-3(2H)-one, 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A, 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, B
| Molecular Formula | C6H10OS |
|---|---|
| Molecular Weight | 130.05 g/mol |
| LogP | 1.4694 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.04524 |
| Heavy Atoms | 8 |
| Complexity | 111.09616 |
Chemical Identifiers
| CAS Number | 26486-19-1 |
|---|---|
| SMILES | CC1CC(=O)C(S1)C |
Product Overview
4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A (CAS 26486-19-1), with molecular formula C6H10OS and molecular weight 130.05 g/mol. IUPAC: 2,5-dimethylthiolan-3-one.
Chemical Property Profile of 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A
Property Insights of 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A
The XLogP value of 1.4694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A. With a topological polar surface area (TPSA) of 17.07 Ų, 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A 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 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A?
The CAS number of 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A is 26486-19-1.
What is the molecular formula of 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A?
The molecular formula of 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A is C6H10OS.
What is the molecular weight of 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A?
The molecular weight of 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A is 130.05 g/mol.
Where can I buy 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A?
You can request a quote for 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dihydro-2,5-dimethylthiophen-3(2H)-one, A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.