4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-
TL;DR: 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)- (CAS 84260-83-3) is a chemical compound with molecular formula C8H12OS2 and molecular weight 188.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-6-methylsulfanyl-3H-thiopyran-4-one
Also Known As: Maybridge1_005063, 2,2-dimethyl-6-methylsulfanyl-3H-thiopyran-4-one, 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-, 2-Methylthio-6,6-dimethyl-4H-thiopyran-4-on, 6,6-Dimethyl-2-methylthio-4H-thiopyran-4-on
| Molecular Formula | C8H12OS2 |
|---|---|
| Molecular Weight | 188.03 g/mol |
| LogP | 2.6754 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.03296 |
| Heavy Atoms | 11 |
| Complexity | 206.1376 |
Chemical Identifiers
| CAS Number | 84260-83-3 |
|---|---|
| SMILES | CC1(CC(=O)C=C(S1)SC)C |
Product Overview
4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)- (CAS 84260-83-3), with molecular formula C8H12OS2 and molecular weight 188.03 g/mol. IUPAC: 2,2-dimethyl-6-methylsulfanyl-3H-thiopyran-4-one.
Chemical Property Profile of 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-
Property Insights of 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-
The XLogP value of 2.6754 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-. With a topological polar surface area (TPSA) of 17.07 Ų, 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)- has 0 hydrogen bond donor(s) and 3 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 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-?
The CAS number of 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)- is 84260-83-3.
What is the molecular formula of 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-?
The molecular formula of 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)- is C8H12OS2.
What is the molecular weight of 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-?
The molecular weight of 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)- is 188.03 g/mol.
Where can I buy 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-?
You can request a quote for 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Thiopyran-4-one, 2,3-dihydro-2,2-dimethyl-6-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.