3-Tert-butyl-9h-thioxanthen-9-one
TL;DR: 3-Tert-butyl-9h-thioxanthen-9-one (CAS 5495-87-4) is a chemical compound with molecular formula C17H16OS and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butylthioxanthen-9-one
Also Known As: 3-tert-butylthioxanthen-9-one, 3-tert-butyl-9h-thioxanthen-9-one, 2-(tert-Butyl)-9H-thioxanthen-9-one, EINECS 226-828-4
| Molecular Formula | C17H16OS |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.0922 |
| Heavy Atoms | 19 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 5495-87-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2 |
| InChIKey | KFZOCFFWSYNXTH-UHFFFAOYSA-N |
Product Overview
3-Tert-butyl-9h-thioxanthen-9-one (CAS 5495-87-4), with molecular formula C17H16OS and molecular weight 268.09 g/mol. IUPAC: 3-tert-butylthioxanthen-9-one.
Chemical Property Profile of 3-Tert-butyl-9h-thioxanthen-9-one
Property Insights of 3-Tert-butyl-9h-thioxanthen-9-one
The XLogP value of 5.7 indicates that 3-Tert-butyl-9h-thioxanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 3-Tert-butyl-9h-thioxanthen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Tert-butyl-9h-thioxanthen-9-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Tert-butyl-9h-thioxanthen-9-one?
The CAS number of 3-Tert-butyl-9h-thioxanthen-9-one is 5495-87-4.
What is the molecular formula of 3-Tert-butyl-9h-thioxanthen-9-one?
The molecular formula of 3-Tert-butyl-9h-thioxanthen-9-one is C17H16OS.
What is the molecular weight of 3-Tert-butyl-9h-thioxanthen-9-one?
The molecular weight of 3-Tert-butyl-9h-thioxanthen-9-one is 268.09 g/mol.
Where can I buy 3-Tert-butyl-9h-thioxanthen-9-one?
You can request a quote for 3-Tert-butyl-9h-thioxanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-9h-thioxanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-9h-thioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.