9H-thioxanthene-9-thione
TL;DR: 9H-thioxanthene-9-thione (CAS 3591-73-9) is a chemical compound with molecular formula C13H8S2 and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thioxanthene-9-thione
Also Known As: 9H-thioxanthene-9-thione, thioxanthione, thioxanthene-9-thione, thioxanthen-9-thione, RefChem:313754
| Molecular Formula | C13H8S2 |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.00674 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 3591-73-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)C3=CC=CC=C3S2 |
| InChIKey | GFFOQYKXLQSUKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9H-thioxanthene-9-thione (CAS 3591-73-9), with molecular formula C13H8S2 and molecular weight 228.01 g/mol. IUPAC: thioxanthene-9-thione.
Chemical Property Profile of 9H-thioxanthene-9-thione
Property Insights of 9H-thioxanthene-9-thione
The XLogP value of 4.6 indicates that 9H-thioxanthene-9-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.4 Ų, 9H-thioxanthene-9-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-thioxanthene-9-thione 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 9H-thioxanthene-9-thione?
The CAS number of 9H-thioxanthene-9-thione is 3591-73-9.
What is the molecular formula of 9H-thioxanthene-9-thione?
The molecular formula of 9H-thioxanthene-9-thione is C13H8S2.
What is the molecular weight of 9H-thioxanthene-9-thione?
The molecular weight of 9H-thioxanthene-9-thione is 228.01 g/mol.
Where can I buy 9H-thioxanthene-9-thione?
You can request a quote for 9H-thioxanthene-9-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-thioxanthene-9-thione?
Yes, KEHONG BIO provides custom synthesis services for 9H-thioxanthene-9-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.