tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one
TL;DR: tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one (CAS 22842-41-7) is a chemical compound with molecular formula C9H16OS and molecular weight 172.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,6,6-tetramethylthian-4-one
Also Known As: 2,2,6,6-tetramethylthian-4-one, Tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one, 2,2,6,6-tetramethyl-tetrahydrothiopyran-4-one, 2,2,6,6-Tetramethyltetrahydro-4H-thiopyran-4-one, 4H-THIOPYRAN-4-ONE,TETRAHYDRO-2,2,6,6-TETRAMETHYL-
| Molecular Formula | C9H16OS |
|---|---|
| Molecular Weight | 172.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.0922 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 22842-41-7 |
|---|---|
| SMILES | CC1(CC(=O)CC(S1)(C)C)C |
| InChIKey | CGAPIUWHWGPGJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one (CAS 22842-41-7), with molecular formula C9H16OS and molecular weight 172.09 g/mol. IUPAC: 2,2,6,6-tetramethylthian-4-one.
Chemical Property Profile of tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one
Property Insights of tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one. With a topological polar surface area (TPSA) of 42.4 Ų, tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one 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 tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one?
The CAS number of tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one is 22842-41-7.
What is the molecular formula of tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one?
The molecular formula of tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one is C9H16OS.
What is the molecular weight of tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one?
The molecular weight of tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one is 172.09 g/mol.
Where can I buy tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one?
You can request a quote for tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for tetrahydro-2,2,6,6-tetramethyl-4H-thiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.