![4-[(Trifluoroacetyl)thio]toluene structure](/static/products/7507/75072-07-0.webp)
4-[(Trifluoroacetyl)thio]toluene
TL;DR: 4-[(Trifluoroacetyl)thio]toluene (CAS 75072-07-0) is a chemical compound with molecular formula C9H7F3OS and molecular weight 220.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylphenyl) 2,2,2-trifluoroethanethioate
Also Known As: S-(TRIFLUOROACETYL)-4-MERCAPTOTOLUENE, 4-[(Trifluoroacetyl)thio]toluene, S-(4-methylphenyl) 2,2,2-trifluoroethanethioate, 4-((Trifluoroacetyl)thio)toluene, p-Thiocresol, S-trifluoroacetyl-
| Molecular Formula | C9H7F3OS |
|---|---|
| Molecular Weight | 220.02 g/mol |
| LogP | 3.17602 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.01697 |
| Heavy Atoms | 14 |
| Complexity | 328.90546 |
Chemical Identifiers
| CAS Number | 75072-07-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)C(F)(F)F |
Product Overview
4-[(Trifluoroacetyl)thio]toluene (CAS 75072-07-0), with molecular formula C9H7F3OS and molecular weight 220.02 g/mol. IUPAC: S-(4-methylphenyl) 2,2,2-trifluoroethanethioate.
Chemical Property Profile of 4-[(Trifluoroacetyl)thio]toluene
Property Insights of 4-[(Trifluoroacetyl)thio]toluene
The XLogP value of 3.17602 indicates that 4-[(Trifluoroacetyl)thio]toluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4-[(Trifluoroacetyl)thio]toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(Trifluoroacetyl)thio]toluene 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 4-[(Trifluoroacetyl)thio]toluene?
The CAS number of 4-[(Trifluoroacetyl)thio]toluene is 75072-07-0.
What is the molecular formula of 4-[(Trifluoroacetyl)thio]toluene?
The molecular formula of 4-[(Trifluoroacetyl)thio]toluene is C9H7F3OS.
What is the molecular weight of 4-[(Trifluoroacetyl)thio]toluene?
The molecular weight of 4-[(Trifluoroacetyl)thio]toluene is 220.02 g/mol.
Where can I buy 4-[(Trifluoroacetyl)thio]toluene?
You can request a quote for 4-[(Trifluoroacetyl)thio]toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(Trifluoroacetyl)thio]toluene?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Trifluoroacetyl)thio]toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.