1,2,5-Trifluoro-3-isothiocyanatobenzene
TL;DR: 1,2,5-Trifluoro-3-isothiocyanatobenzene (CAS 362690-55-9) 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.
1,2,5-trifluoro-3-isothiocyanatobenzene
Also Known As: 1,2,5-trifluoro-3-isothiocyanatobenzene, 2,3,5-Trifluorophenyl Isothiocyanate, Benzene, 1,2,5-trifluoro-3-isothiocyanato- (9CI), Benzene,1,2,5-trifluoro-3-isothiocyanato-, 1,2,5-trifluoro-3-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 | 362690-55-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1N=C=S)F)F)F |
Product Overview
1,2,5-Trifluoro-3-isothiocyanatobenzene (CAS 362690-55-9), with molecular formula C7H2F3NS and molecular weight 188.99 g/mol. IUPAC: 1,2,5-trifluoro-3-isothiocyanatobenzene.
Chemical Property Profile of 1,2,5-Trifluoro-3-isothiocyanatobenzene
Property Insights of 1,2,5-Trifluoro-3-isothiocyanatobenzene
The XLogP value of 2.8382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,5-Trifluoro-3-isothiocyanatobenzene. With a topological polar surface area (TPSA) of 12.36 Ų, 1,2,5-Trifluoro-3-isothiocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,5-Trifluoro-3-isothiocyanatobenzene 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 1,2,5-Trifluoro-3-isothiocyanatobenzene?
The CAS number of 1,2,5-Trifluoro-3-isothiocyanatobenzene is 362690-55-9.
What is the molecular formula of 1,2,5-Trifluoro-3-isothiocyanatobenzene?
The molecular formula of 1,2,5-Trifluoro-3-isothiocyanatobenzene is C7H2F3NS.
What is the molecular weight of 1,2,5-Trifluoro-3-isothiocyanatobenzene?
The molecular weight of 1,2,5-Trifluoro-3-isothiocyanatobenzene is 188.99 g/mol.
Where can I buy 1,2,5-Trifluoro-3-isothiocyanatobenzene?
You can request a quote for 1,2,5-Trifluoro-3-isothiocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,5-Trifluoro-3-isothiocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,5-Trifluoro-3-isothiocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.