4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl-
TL;DR: 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- (CAS 68226-11-9) is a chemical compound with molecular formula C13H16OS and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-6-phenylthian-4-one
Also Known As: 2,2-dimethyl-6-phenylthian-4-one, 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl-, 2,2-dimethyl-6-phenyltetra-hydro-4-thiopyrone, 2,2-Dimethyl-6-phenyl-tetrahydro-thiopyran-4-on, 4H-Thiopyran-4-one, tetrahydro-, 2,2-dimethyl-6-phenyl-
| Molecular Formula | C13H16OS |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 3.6024 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.0922 |
| Heavy Atoms | 15 |
| Complexity | 356.05853 |
Chemical Identifiers
| CAS Number | 68226-11-9 |
|---|---|
| SMILES | CC1(CC(=O)CC(S1)C2=CC=CC=C2)C |
Product Overview
4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- (CAS 68226-11-9), with molecular formula C13H16OS and molecular weight 220.09 g/mol. IUPAC: 2,2-dimethyl-6-phenylthian-4-one.
Chemical Property Profile of 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl-
Property Insights of 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl-
The XLogP value of 3.6024 indicates that 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- 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 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl-?
The CAS number of 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- is 68226-11-9.
What is the molecular formula of 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl-?
The molecular formula of 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- is C13H16OS.
What is the molecular weight of 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl-?
The molecular weight of 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- is 220.09 g/mol.
Where can I buy 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl-?
You can request a quote for 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- 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, tetrahydro-2,2-dimethyl-6-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Thiopyran-4-one, tetrahydro-2,2-dimethyl-6-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.