(3-((Trifluoromethyl)thio)phenyl)methanamine
TL;DR: (3-((Trifluoromethyl)thio)phenyl)methanamine (CAS 234450-53-4) is a chemical compound with molecular formula C8H8F3NS and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethylsulfanyl)phenyl]methanamine
Also Known As: 3-(Trifluoromethylthio)benzylamine, (3-((Trifluoromethyl)thio)phenyl)methanamine, {3-[(trifluoromethyl)sulfanyl]phenyl}methanamine, 3-[(Trifluoromethyl)thio]benzylamine, [3-(trifluoromethylsulfanyl)phenyl]methanamine
| Molecular Formula | C8H8F3NS |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 2.7572 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.03296 |
| Heavy Atoms | 13 |
| Complexity | 284.96277 |
Chemical Identifiers
| CAS Number | 234450-53-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)SC(F)(F)F)CN |
Product Overview
(3-((Trifluoromethyl)thio)phenyl)methanamine (CAS 234450-53-4), with molecular formula C8H8F3NS and molecular weight 207.03 g/mol. IUPAC: [3-(trifluoromethylsulfanyl)phenyl]methanamine.
Chemical Property Profile of (3-((Trifluoromethyl)thio)phenyl)methanamine
Property Insights of (3-((Trifluoromethyl)thio)phenyl)methanamine
The XLogP value of 2.7572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-((Trifluoromethyl)thio)phenyl)methanamine. With a topological polar surface area (TPSA) of 26.02 Ų, (3-((Trifluoromethyl)thio)phenyl)methanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-((Trifluoromethyl)thio)phenyl)methanamine has 1 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 (3-((Trifluoromethyl)thio)phenyl)methanamine?
The CAS number of (3-((Trifluoromethyl)thio)phenyl)methanamine is 234450-53-4.
What is the molecular formula of (3-((Trifluoromethyl)thio)phenyl)methanamine?
The molecular formula of (3-((Trifluoromethyl)thio)phenyl)methanamine is C8H8F3NS.
What is the molecular weight of (3-((Trifluoromethyl)thio)phenyl)methanamine?
The molecular weight of (3-((Trifluoromethyl)thio)phenyl)methanamine is 207.03 g/mol.
Where can I buy (3-((Trifluoromethyl)thio)phenyl)methanamine?
You can request a quote for (3-((Trifluoromethyl)thio)phenyl)methanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-((Trifluoromethyl)thio)phenyl)methanamine?
Yes, KEHONG BIO provides custom synthesis services for (3-((Trifluoromethyl)thio)phenyl)methanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.