Titanocene bis(4-aminothiophenolate)
TL;DR: Titanocene bis(4-aminothiophenolate) (CAS 1038753-13-7) is a chemical compound with molecular formula C22H24Cl2N2S2Ti and molecular weight 498.02374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(4-aminobenzenethiolate);bis(cyclopenta-1,3-diene);titanium(4+);dihydrochloride
Also Known As: TBATP, Titanocene bis(4-aminothiophenolate), 4'-O-Methyllicoflavanone, Titanocene bis(para-aminothiophenolate) di-hcl, 4-aminobenzenethiolate,cyclopenta-1,3-diene,titanium(4+),dihydrochloride
Technical Specifications
| Molecular Formula | C22H24Cl2N2S2Ti |
| Molecular Weight | 498.02374 g/mol |
| XLogP | 6.0013 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 498.02374 Da |
| Heavy Atoms | 29 |
| Complexity | 78.0 |
| SMILES | [CH-]1C=CC=C1.[CH-]1C=CC=C1.C1=CC(=CC=C1N)[S-].C1=CC(=CC=C1N)[S-].Cl.Cl.[Ti+4] |
| InChIKey | UXXQKLCKXLHHPV-UHFFFAOYSA-L |
Chemical Property Profile of Titanocene bis(4-aminothiophenolate)
Property Insights of Titanocene bis(4-aminothiophenolate)
The XLogP value of 6.0013 indicates that Titanocene bis(4-aminothiophenolate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Titanocene bis(4-aminothiophenolate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Titanocene bis(4-aminothiophenolate) has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Titanocene bis(4-aminothiophenolate)?
The CAS number of Titanocene bis(4-aminothiophenolate) is 1038753-13-7.
What is the molecular formula of Titanocene bis(4-aminothiophenolate)?
The molecular formula of Titanocene bis(4-aminothiophenolate) is C22H24Cl2N2S2Ti.
What is the molecular weight of Titanocene bis(4-aminothiophenolate)?
The molecular weight of Titanocene bis(4-aminothiophenolate) is 498.02374 g/mol.
Where can I buy Titanocene bis(4-aminothiophenolate)?
You can request a quote for Titanocene bis(4-aminothiophenolate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Titanocene bis(4-aminothiophenolate)?
Yes, CoreyChem provides custom synthesis services for Titanocene bis(4-aminothiophenolate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.