2-Isopropylthioxanthone
TL;DR: 2-Isopropylthioxanthone (CAS 5495-84-1) is a chemical compound with molecular formula C16H14OS and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-ylthioxanthen-9-one
Also Known As: 2-Isopropylthioxanthone, 2-Isopropyl Thioxanthone, Quantacure itx, Speedcure ITX, 2-Isopropyl-9H-thioxanthen-9-one
| Molecular Formula | C16H14OS |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.07654 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 5495-84-1 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)SC3=CC=CC=C3C2=O |
| InChIKey | KTALPKYXQZGAEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropylthioxanthone (CAS 5495-84-1), with molecular formula C16H14OS and molecular weight 254.08 g/mol. IUPAC: 2-propan-2-ylthioxanthen-9-one.
Chemical Property Profile of 2-Isopropylthioxanthone
Property Insights of 2-Isopropylthioxanthone
The XLogP value of 5.1 indicates that 2-Isopropylthioxanthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Isopropylthioxanthone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropylthioxanthone 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 2-Isopropylthioxanthone?
The CAS number of 2-Isopropylthioxanthone is 5495-84-1.
What is the molecular formula of 2-Isopropylthioxanthone?
The molecular formula of 2-Isopropylthioxanthone is C16H14OS.
What is the molecular weight of 2-Isopropylthioxanthone?
The molecular weight of 2-Isopropylthioxanthone is 254.08 g/mol.
Where can I buy 2-Isopropylthioxanthone?
You can request a quote for 2-Isopropylthioxanthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropylthioxanthone?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropylthioxanthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.