4H-Thiopyran-4-one, 2,6-dimethyl-
TL;DR: 4H-Thiopyran-4-one, 2,6-dimethyl- (CAS 1073-80-9) is a chemical compound with molecular formula C7H8OS and molecular weight 140.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylthiopyran-4-one
Also Known As: 2,6-dimethylthiopyran-4-one, 2,6-dimethylthiin-4-one, 2,6-Dimethyl-4-thiopyrone, 2,6-Dimethyl-4H-thiopyran-4-one, 2,6-Dimethyl-4-thiopyranone
| Molecular Formula | C7H8OS |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 1.72514 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.02959 |
| Heavy Atoms | 9 |
| Complexity | 238.61382 |
Chemical Identifiers
| CAS Number | 1073-80-9 |
|---|---|
| SMILES | CC1=CC(=O)C=C(S1)C |
Product Overview
4H-Thiopyran-4-one, 2,6-dimethyl- (CAS 1073-80-9), with molecular formula C7H8OS and molecular weight 140.03 g/mol. IUPAC: 2,6-dimethylthiopyran-4-one.
Chemical Property Profile of 4H-Thiopyran-4-one, 2,6-dimethyl-
Property Insights of 4H-Thiopyran-4-one, 2,6-dimethyl-
The XLogP value of 1.72514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Thiopyran-4-one, 2,6-dimethyl-. With a topological polar surface area (TPSA) of 17.07 Ų, 4H-Thiopyran-4-one, 2,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Thiopyran-4-one, 2,6-dimethyl- 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, 2,6-dimethyl-?
The CAS number of 4H-Thiopyran-4-one, 2,6-dimethyl- is 1073-80-9.
What is the molecular formula of 4H-Thiopyran-4-one, 2,6-dimethyl-?
The molecular formula of 4H-Thiopyran-4-one, 2,6-dimethyl- is C7H8OS.
What is the molecular weight of 4H-Thiopyran-4-one, 2,6-dimethyl-?
The molecular weight of 4H-Thiopyran-4-one, 2,6-dimethyl- is 140.03 g/mol.
Where can I buy 4H-Thiopyran-4-one, 2,6-dimethyl-?
You can request a quote for 4H-Thiopyran-4-one, 2,6-dimethyl- 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, 2,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Thiopyran-4-one, 2,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.