1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone
TL;DR: 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone (CAS 220142-46-1) is a chemical compound with molecular formula C9H10F2OS and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dimethyl-2H-thiopyran-6-yl)-2,2-difluoroethanone
Also Known As: Ethanone,1- -2,2-difluoro-, 1-(3,4-dimethyl-2H-thiopyran-6-yl)-2,2-difluoroethanone, 1-(3,4-DIMETHYL-2H-THIOPYRAN-6-YL)-2,2-DIFLUORO-ETHANONE, 1-(4,5-Dimethyl-6H-thiopyran-2-yl)-2,2-difluoro-ethanone, 1-(3,4-Dimethyl-2H-thiopyran-6-yl)-2,2-difluoroethan-1-one
| Molecular Formula | C9H10F2OS |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 2.7877 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.04204 |
| Heavy Atoms | 13 |
| Complexity | 291.98984 |
Chemical Identifiers
| CAS Number | 220142-46-1 |
|---|---|
| SMILES | CC1=C(C=C(SC1)C(=O)C(F)F)C |
Product Overview
1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone (CAS 220142-46-1), with molecular formula C9H10F2OS and molecular weight 204.04 g/mol. IUPAC: 1-(3,4-dimethyl-2H-thiopyran-6-yl)-2,2-difluoroethanone.
Chemical Property Profile of 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone
Property Insights of 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone
The XLogP value of 2.7877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone. With a topological polar surface area (TPSA) of 17.07 Ų, 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone 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 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone?
The CAS number of 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone is 220142-46-1.
What is the molecular formula of 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone?
The molecular formula of 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone is C9H10F2OS.
What is the molecular weight of 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone?
The molecular weight of 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone is 204.04 g/mol.
Where can I buy 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone?
You can request a quote for 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethyl-2H-thiopyran-6-YL)-2,2-difluoro-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.