Trityl isothiocyanate
TL;DR: Trityl isothiocyanate (CAS 1726-94-9) is a chemical compound with molecular formula C20H15NS and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[isothiocyanato(diphenyl)methyl]benzene
Also Known As: Trityl isothiocyanate, Triphenylmethyl isothiocyanate, Tritylisothiocyanat, TRITylisoTHIOCYANATE, triphenylmethylisothiocyanate
| Molecular Formula | C20H15NS |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.09253 |
| Heavy Atoms | 22 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 1726-94-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N=C=S |
| InChIKey | ZPZHAUXTGFNYTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trityl isothiocyanate (CAS 1726-94-9), with molecular formula C20H15NS and molecular weight 301.09 g/mol. IUPAC: [isothiocyanato(diphenyl)methyl]benzene.
Chemical Property Profile of Trityl isothiocyanate
Property Insights of Trityl isothiocyanate
The XLogP value of 7.0 indicates that Trityl isothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, Trityl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trityl isothiocyanate 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 Trityl isothiocyanate?
The CAS number of Trityl isothiocyanate is 1726-94-9.
What is the molecular formula of Trityl isothiocyanate?
The molecular formula of Trityl isothiocyanate is C20H15NS.
What is the molecular weight of Trityl isothiocyanate?
The molecular weight of Trityl isothiocyanate is 301.09 g/mol.
Where can I buy Trityl isothiocyanate?
You can request a quote for Trityl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trityl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for Trityl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.