(S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate
TL;DR: (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate (CAS 737000-83-8) is a chemical compound with molecular formula C9H8FNS and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-4-[(1S)-1-isothiocyanatoethyl]benzene
Also Known As: (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate, 1-FLUORO-4-[(1S)-1-ISOTHIOCYANATOETHYL]BENZENE, (S)-1-(4-fluoro-phenyl)ethyl isothiocyanate, RefChem:210969
| Molecular Formula | C9H8FNS |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 2.9895 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.03615 |
| Heavy Atoms | 12 |
| Complexity | 300.8095 |
Chemical Identifiers
| CAS Number | 737000-83-8 |
|---|---|
| SMILES | C[C@@H](C1=CC=C(C=C1)F)N=C=S |
Product Overview
(S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate (CAS 737000-83-8), with molecular formula C9H8FNS and molecular weight 181.04 g/mol. IUPAC: 1-fluoro-4-[(1S)-1-isothiocyanatoethyl]benzene.
Chemical Property Profile of (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate
Property Insights of (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate
The XLogP value of 2.9895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate. With a topological polar surface area (TPSA) of 12.36 Ų, (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate 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 (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate?
The CAS number of (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate is 737000-83-8.
What is the molecular formula of (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate?
The molecular formula of (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate is C9H8FNS.
What is the molecular weight of (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate?
The molecular weight of (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate is 181.04 g/mol.
Where can I buy (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate?
You can request a quote for (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for (S)-(+)-1-(4-Fluorophenyl)ethyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.