1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one
TL;DR: 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one (CAS 1022674-69-6) is a chemical compound with molecular formula C17H16OS and molecular weight 268.0922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-dibenzothiophen-2-yl-2,2-dimethylpropan-1-one
Also Known As: 1-dibenzothiophen-2-yl-2,2-dimethylpropan-1-one, 1-benzo[b]benzo[b]thiophen-2-yl-2,2-dimethylpropan-1-one, 1-dibenzothiophen-2-yl-2,2-dimethyl-propan-1-one, 1-(2-Dibenzothienyl)-2,2-dimethyl-1-propanone, 2,2-dimethyl-1-{8-thiatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl}propan-1-one
Technical Specifications
| Molecular Formula | C17H16OS |
| Molecular Weight | 268.0922 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0922 Da |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
| SMILES | CC(C)(C)C(=O)C1=CC2=C(C=C1)SC3=CC=CC=C32 |
| InChIKey | ZXNLKIQZJIZDDZ-UHFFFAOYSA-N |
Chemical Property Profile of 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one
Property Insights of 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one
The XLogP value of 5.5 indicates that 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one?
The CAS number of 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one is 1022674-69-6.
What is the molecular formula of 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one?
The molecular formula of 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one is C17H16OS.
What is the molecular weight of 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one?
The molecular weight of 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one is 268.0922 g/mol.
Where can I buy 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one?
You can request a quote for 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one?
Yes, CoreyChem provides custom synthesis services for 1-Dibenzothiophen-2-yl-2,2-dimethylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.