![1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene structure](/static/products/5522/55225-88-2.webp)
1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene
TL;DR: 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene (CAS 55225-88-2) is a chemical compound with molecular formula C8H4F3NOS and molecular weight 219.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-3-(trifluoromethylsulfanyl)benzene
Also Known As: 3-(Trifluoromethylthio)phenyl isocyanate, 1-isocyanato-3-(trifluoromethylsulfanyl)benzene, 3- PHENYLISOCYANATE, 1-isocyanato-3-[(trifluoromethyl)sulfanyl]benzene, 3-(TRIFLUOROMETHYLTHIO)PHENylisoCYANATE
| Molecular Formula | C8H4F3NOS |
|---|---|
| Molecular Weight | 219.00 g/mol |
| LogP | 3.2658 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.99657 |
| Heavy Atoms | 14 |
| Complexity | 371.0943 |
Chemical Identifiers
| CAS Number | 55225-88-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(F)(F)F)N=C=O |
Product Overview
1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene (CAS 55225-88-2), with molecular formula C8H4F3NOS and molecular weight 219.00 g/mol. IUPAC: 1-isocyanato-3-(trifluoromethylsulfanyl)benzene.
Chemical Property Profile of 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene
Property Insights of 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene
The XLogP value of 3.2658 indicates that 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene has 0 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 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene?
The CAS number of 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene is 55225-88-2.
What is the molecular formula of 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene?
The molecular formula of 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene is C8H4F3NOS.
What is the molecular weight of 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene?
The molecular weight of 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene is 219.00 g/mol.
Where can I buy 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene?
You can request a quote for 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-3-[(trifluoromethyl)sulfanyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.