2,3,4-Trifluorophenyl isothiocyanate
TL;DR: 2,3,4-Trifluorophenyl isothiocyanate (CAS 119474-40-7) is a chemical compound with molecular formula C7H2F3NS and molecular weight 188.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trifluoro-4-isothiocyanatobenzene
Also Known As: 2,3,4-Trifluorophenyl isothiocyanate, 2,3,4-trifluorophenylisothiocyanate, 1,2,3-trifluoro-4-isothiocyanatobenzene, Benzene,1,2,3-trifluoro-4-isothiocyanato-, 1,2,3-trifluoro-4-isothiocyanato-benzene
| Molecular Formula | C7H2F3NS |
|---|---|
| Molecular Weight | 188.99 g/mol |
| LogP | 2.8382 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.98601 |
| Heavy Atoms | 12 |
| Complexity | 357.91428 |
Chemical Identifiers
| CAS Number | 119474-40-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1N=C=S)F)F)F |
Product Overview
2,3,4-Trifluorophenyl isothiocyanate (CAS 119474-40-7), with molecular formula C7H2F3NS and molecular weight 188.99 g/mol. IUPAC: 1,2,3-trifluoro-4-isothiocyanatobenzene.
Chemical Property Profile of 2,3,4-Trifluorophenyl isothiocyanate
Property Insights of 2,3,4-Trifluorophenyl isothiocyanate
The XLogP value of 2.8382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trifluorophenyl isothiocyanate. With a topological polar surface area (TPSA) of 12.36 Ų, 2,3,4-Trifluorophenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trifluorophenyl 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 2,3,4-Trifluorophenyl isothiocyanate?
The CAS number of 2,3,4-Trifluorophenyl isothiocyanate is 119474-40-7.
What is the molecular formula of 2,3,4-Trifluorophenyl isothiocyanate?
The molecular formula of 2,3,4-Trifluorophenyl isothiocyanate is C7H2F3NS.
What is the molecular weight of 2,3,4-Trifluorophenyl isothiocyanate?
The molecular weight of 2,3,4-Trifluorophenyl isothiocyanate is 188.99 g/mol.
Where can I buy 2,3,4-Trifluorophenyl isothiocyanate?
You can request a quote for 2,3,4-Trifluorophenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trifluorophenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trifluorophenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.