1,4,6,9-Thianthrenetetrone
TL;DR: 1,4,6,9-Thianthrenetetrone (CAS 147727-02-4) is a chemical compound with molecular formula C12H4O4S2 and molecular weight 275.9551 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
thianthrene-1,4,6,9-tetrone
Also Known As: 1,4,6,9-Thianthrenetetrone, Thianthrene-1,4,6,9-tetrone, 5-Hydroxy-1H-indazole, Thianthrene-1,4,6,9-tetraone, I14-32769
Technical Specifications
| Molecular Formula | C12H4O4S2 |
| Molecular Weight | 275.9551 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.9551 Da |
| Heavy Atoms | 18 |
| Complexity | 552.0 |
| SMILES | C1=CC(=O)C2=C(C1=O)SC3=C(S2)C(=O)C=CC3=O |
| InChIKey | HFIWRDPIRQQHEH-UHFFFAOYSA-N |
Chemical Property Profile of 1,4,6,9-Thianthrenetetrone
Property Insights of 1,4,6,9-Thianthrenetetrone
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,6,9-Thianthrenetetrone. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,6,9-Thianthrenetetrone. Following Lipinski's Rule of Five, 1,4,6,9-Thianthrenetetrone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4,6,9-Thianthrenetetrone?
The CAS number of 1,4,6,9-Thianthrenetetrone is 147727-02-4.
What is the molecular formula of 1,4,6,9-Thianthrenetetrone?
The molecular formula of 1,4,6,9-Thianthrenetetrone is C12H4O4S2.
What is the molecular weight of 1,4,6,9-Thianthrenetetrone?
The molecular weight of 1,4,6,9-Thianthrenetetrone is 275.9551 g/mol.
Where can I buy 1,4,6,9-Thianthrenetetrone?
You can request a quote for 1,4,6,9-Thianthrenetetrone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4,6,9-Thianthrenetetrone?
Yes, CoreyChem provides custom synthesis services for 1,4,6,9-Thianthrenetetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.