![12H-Benzo[b]thioxanthen-12-one structure](/static/products/3604/3604-45-3.webp)
12H-Benzo[b]thioxanthen-12-one
TL;DR: 12H-Benzo[b]thioxanthen-12-one (CAS 3604-45-3) is a chemical compound with molecular formula C17H10OS and molecular weight 262.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzo[b]thioxanthen-12-one
Also Known As: benzo[b]thioxanthen-12-one, 12H-5-thiatetracen-12-one, 5-Thia-naphthacen-12-one, 12H-Benzo[b]thioxanthen-12-one, 5-Thianaphthacene-12(5H)-one
| Molecular Formula | C17H10OS |
|---|---|
| Molecular Weight | 262.05 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.04523 |
| Heavy Atoms | 19 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 3604-45-3 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC=CC=C4S3 |
| InChIKey | HWRDHOQOYKQNMJ-UHFFFAOYSA-N |
Product Overview
12H-Benzo[b]thioxanthen-12-one (CAS 3604-45-3), with molecular formula C17H10OS and molecular weight 262.05 g/mol. IUPAC: benzo[b]thioxanthen-12-one.
Chemical Property Profile of 12H-Benzo[b]thioxanthen-12-one
Property Insights of 12H-Benzo[b]thioxanthen-12-one
The XLogP value of 5.2 indicates that 12H-Benzo[b]thioxanthen-12-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, 12H-Benzo[b]thioxanthen-12-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12H-Benzo[b]thioxanthen-12-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 12H-Benzo[b]thioxanthen-12-one?
The CAS number of 12H-Benzo[b]thioxanthen-12-one is 3604-45-3.
What is the molecular formula of 12H-Benzo[b]thioxanthen-12-one?
The molecular formula of 12H-Benzo[b]thioxanthen-12-one is C17H10OS.
What is the molecular weight of 12H-Benzo[b]thioxanthen-12-one?
The molecular weight of 12H-Benzo[b]thioxanthen-12-one is 262.05 g/mol.
Where can I buy 12H-Benzo[b]thioxanthen-12-one?
You can request a quote for 12H-Benzo[b]thioxanthen-12-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12H-Benzo[b]thioxanthen-12-one?
Yes, KEHONG BIO provides custom synthesis services for 12H-Benzo[b]thioxanthen-12-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.