Titanocene(o-CH3NHSPh)I
TL;DR: Titanocene(o-CH3NHSPh)I (CAS 122817-36-1) is a chemical compound with molecular formula C17H17INSTi-5 and molecular weight 441.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(cyclopenta-1,3-diene);2-methylazanidylbenzenethiolate;titanium;iodide
Also Known As: Titanocene(o-CH3NHSPh)I, Bis(beta^5-2,4-cyclopentadiene-1-yl)-1,2-bis(methylaminothio)phenyl iodide, Titanium(1+), bis(h5-2,4-cyclopentadien-1-yl)(2-(methylamino)benzenethiolato-N,S)-, iodide, Bis(.beta.^5-2,4-cyclopentadiene-1-yl)-1,2-bis(methylaminothio)phenyl iodide, 8,8-di(cyclopenta-2,4-dien-1-yl)-9-methyl-[?]bicyclo[4.3.0]nona-1,3,5-triene hydroiodide
| Molecular Formula | C17H17INSTi-5 |
|---|---|
| Molecular Weight | 441.96 g/mol |
| LogP | 2.0399 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 441.96057 |
| Heavy Atoms | 21 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 122817-36-1 |
|---|---|
| SMILES | C[N-]C1=CC=CC=C1[S-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti].[I-] |
| InChIKey | JQFLNLZWNDXENE-UHFFFAOYSA-L |
Product Overview
Titanocene(o-CH3NHSPh)I (CAS 122817-36-1), with molecular formula C17H17INSTi-5 and molecular weight 441.96 g/mol. IUPAC: bis(cyclopenta-1,3-diene);2-methylazanidylbenzenethiolate;titanium;iodide.
Chemical Property Profile of Titanocene(o-CH3NHSPh)I
Property Insights of Titanocene(o-CH3NHSPh)I
The XLogP value of 2.0399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Titanocene(o-CH3NHSPh)I. With a topological polar surface area (TPSA) of 2.0 Ų, Titanocene(o-CH3NHSPh)I exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Titanocene(o-CH3NHSPh)I has 0 hydrogen bond donor(s) and 5 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 Titanocene(o-CH3NHSPh)I?
The CAS number of Titanocene(o-CH3NHSPh)I is 122817-36-1.
What is the molecular formula of Titanocene(o-CH3NHSPh)I?
The molecular formula of Titanocene(o-CH3NHSPh)I is C17H17INSTi-5.
What is the molecular weight of Titanocene(o-CH3NHSPh)I?
The molecular weight of Titanocene(o-CH3NHSPh)I is 441.96 g/mol.
Where can I buy Titanocene(o-CH3NHSPh)I?
You can request a quote for Titanocene(o-CH3NHSPh)I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Titanocene(o-CH3NHSPh)I?
Yes, KEHONG BIO provides custom synthesis services for Titanocene(o-CH3NHSPh)I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.