2-Fluoro-4-thiocyanatoaniline
TL;DR: 2-Fluoro-4-thiocyanatoaniline (CAS 14512-85-7) is a chemical compound with molecular formula C7H5FN2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3-fluorophenyl) thiocyanate
Also Known As: 2-FLUORO-4-THIOCYANATOANILINE, 4-amino-3-fluorophenyl thiocyanate, (4-amino-3-fluorophenyl) thiocyanate, 2-fluoro-4-thiocyanoaniline, 2-Fluoro-4-thiocyanatophenylamine
| Molecular Formula | C7H5FN2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 1.98108 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.01575 |
| Heavy Atoms | 11 |
| Complexity | 305.79916 |
Chemical Identifiers
| CAS Number | 14512-85-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1SC#N)F)N |
Product Overview
2-Fluoro-4-thiocyanatoaniline (CAS 14512-85-7), with molecular formula C7H5FN2S and molecular weight 168.02 g/mol. IUPAC: (4-amino-3-fluorophenyl) thiocyanate.
Chemical Property Profile of 2-Fluoro-4-thiocyanatoaniline
Property Insights of 2-Fluoro-4-thiocyanatoaniline
The XLogP value of 1.98108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4-thiocyanatoaniline. With a topological polar surface area (TPSA) of 49.81 Ų, 2-Fluoro-4-thiocyanatoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4-thiocyanatoaniline has 1 hydrogen bond donor(s) and 3 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-Fluoro-4-thiocyanatoaniline?
The CAS number of 2-Fluoro-4-thiocyanatoaniline is 14512-85-7.
What is the molecular formula of 2-Fluoro-4-thiocyanatoaniline?
The molecular formula of 2-Fluoro-4-thiocyanatoaniline is C7H5FN2S.
What is the molecular weight of 2-Fluoro-4-thiocyanatoaniline?
The molecular weight of 2-Fluoro-4-thiocyanatoaniline is 168.02 g/mol.
Where can I buy 2-Fluoro-4-thiocyanatoaniline?
You can request a quote for 2-Fluoro-4-thiocyanatoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4-thiocyanatoaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4-thiocyanatoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.