2-Isothiocyanatofluorene
TL;DR: 2-Isothiocyanatofluorene (CAS 7620-51-1) is a chemical compound with molecular formula C14H9NS and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isothiocyanato-9H-fluorene
Also Known As: 2-Isothiocyanatofluorene, 2-isothiocyanato-9H-fluorene, fluoren-2-yl isothiocyanate
| Molecular Formula | C14H9NS |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 3.9921 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.04558 |
| Heavy Atoms | 16 |
| Complexity | 609.88245 |
Chemical Identifiers
| CAS Number | 7620-51-1 |
|---|---|
| SMILES | C1C2=CC=CC=C2C3=C1C=C(C=C3)N=C=S |
Product Overview
2-Isothiocyanatofluorene (CAS 7620-51-1), with molecular formula C14H9NS and molecular weight 223.05 g/mol. IUPAC: 2-isothiocyanato-9H-fluorene.
Chemical Property Profile of 2-Isothiocyanatofluorene
Property Insights of 2-Isothiocyanatofluorene
The XLogP value of 3.9921 indicates that 2-Isothiocyanatofluorene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, 2-Isothiocyanatofluorene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isothiocyanatofluorene has 0 hydrogen bond donor(s) and 2 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 2-Isothiocyanatofluorene?
The CAS number of 2-Isothiocyanatofluorene is 7620-51-1.
What is the molecular formula of 2-Isothiocyanatofluorene?
The molecular formula of 2-Isothiocyanatofluorene is C14H9NS.
What is the molecular weight of 2-Isothiocyanatofluorene?
The molecular weight of 2-Isothiocyanatofluorene is 223.05 g/mol.
Where can I buy 2-Isothiocyanatofluorene?
You can request a quote for 2-Isothiocyanatofluorene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isothiocyanatofluorene?
Yes, KEHONG BIO provides custom synthesis services for 2-Isothiocyanatofluorene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.