2,2-Dimethyltetrahydro-4h-thiopyran-4-one
TL;DR: 2,2-Dimethyltetrahydro-4h-thiopyran-4-one (CAS 23367-47-7) is a chemical compound with molecular formula C7H12OS and molecular weight 144.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylthian-4-one
Also Known As: 2,2-dimethylthian-4-one, 2,2-dimethyltetrahydro-4h-thiopyran-4-one, 2,2-Dimethyldihydro-2H-thiopyran-4(3H)-one, 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-, 2,2-Dimethyl-tetrahydro-thiopyran-4-one
| Molecular Formula | C7H12OS |
|---|---|
| Molecular Weight | 144.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.06088 |
| Heavy Atoms | 9 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 23367-47-7 |
|---|---|
| SMILES | CC1(CC(=O)CCS1)C |
| InChIKey | QAABZONQGGPNCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyltetrahydro-4h-thiopyran-4-one (CAS 23367-47-7), with molecular formula C7H12OS and molecular weight 144.06 g/mol. IUPAC: 2,2-dimethylthian-4-one.
Chemical Property Profile of 2,2-Dimethyltetrahydro-4h-thiopyran-4-one
Property Insights of 2,2-Dimethyltetrahydro-4h-thiopyran-4-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyltetrahydro-4h-thiopyran-4-one. With a topological polar surface area (TPSA) of 42.4 Ų, 2,2-Dimethyltetrahydro-4h-thiopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyltetrahydro-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 2,2-Dimethyltetrahydro-4h-thiopyran-4-one?
The CAS number of 2,2-Dimethyltetrahydro-4h-thiopyran-4-one is 23367-47-7.
What is the molecular formula of 2,2-Dimethyltetrahydro-4h-thiopyran-4-one?
The molecular formula of 2,2-Dimethyltetrahydro-4h-thiopyran-4-one is C7H12OS.
What is the molecular weight of 2,2-Dimethyltetrahydro-4h-thiopyran-4-one?
The molecular weight of 2,2-Dimethyltetrahydro-4h-thiopyran-4-one is 144.06 g/mol.
Where can I buy 2,2-Dimethyltetrahydro-4h-thiopyran-4-one?
You can request a quote for 2,2-Dimethyltetrahydro-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 2,2-Dimethyltetrahydro-4h-thiopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyltetrahydro-4h-thiopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.