Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)-
TL;DR: Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- (CAS 88251-71-2) is a chemical compound with molecular formula C10H8F3N3S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-imidazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline
Also Known As: 1-cyano-2-methylisoindole, Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)-, 2-(1H-imidazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline, 2-((1H-Imidazol-2-yl)thio)-5-(trifluoromethyl)aniline, 2-[(1H-Imidazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
| Molecular Formula | C10H8F3N3S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 3.1619 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0391 |
| Heavy Atoms | 17 |
| Complexity | 508.00983 |
Chemical Identifiers
| CAS Number | 88251-71-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)SC2=NC=CN2 |
Product Overview
Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- (CAS 88251-71-2), with molecular formula C10H8F3N3S and molecular weight 259.04 g/mol. IUPAC: 2-(1H-imidazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline.
Chemical Property Profile of Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)-
Property Insights of Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)-
The XLogP value of 3.1619 indicates that Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- has 2 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 Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)-?
The CAS number of Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- is 88251-71-2.
What is the molecular formula of Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)-?
The molecular formula of Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- is C10H8F3N3S.
What is the molecular weight of Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)-?
The molecular weight of Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- is 259.04 g/mol.
Where can I buy Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)-?
You can request a quote for Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, 2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.