9-Phenanthryl isothiocyanate
TL;DR: 9-Phenanthryl isothiocyanate (CAS 109340-63-8) is a chemical compound with molecular formula C15H9NS and molecular weight 235.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-isothiocyanatophenanthrene
Also Known As: 9-isothiocyanatophenanthrene, 9-Phenanthryl isothiocyanate, 9-Phenanthrylisothiocyanate, Phenanthrene,9-isothiocyanato-, ISOTHIOCYANATOPHENANTHRENE, 9-
| Molecular Formula | C15H9NS |
|---|---|
| Molecular Weight | 235.05 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.04558 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 109340-63-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)N=C=S |
| InChIKey | YVWFRWJMJDWYMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Phenanthryl isothiocyanate (CAS 109340-63-8), with molecular formula C15H9NS and molecular weight 235.05 g/mol. IUPAC: 9-isothiocyanatophenanthrene.
Chemical Property Profile of 9-Phenanthryl isothiocyanate
Property Insights of 9-Phenanthryl isothiocyanate
The XLogP value of 5.6 indicates that 9-Phenanthryl 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, 9-Phenanthryl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Phenanthryl 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 9-Phenanthryl isothiocyanate?
The CAS number of 9-Phenanthryl isothiocyanate is 109340-63-8.
What is the molecular formula of 9-Phenanthryl isothiocyanate?
The molecular formula of 9-Phenanthryl isothiocyanate is C15H9NS.
What is the molecular weight of 9-Phenanthryl isothiocyanate?
The molecular weight of 9-Phenanthryl isothiocyanate is 235.05 g/mol.
Where can I buy 9-Phenanthryl isothiocyanate?
You can request a quote for 9-Phenanthryl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Phenanthryl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 9-Phenanthryl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.