4-(Trifluoromethylthio)benzoyl chloride
TL;DR: 4-(Trifluoromethylthio)benzoyl chloride (CAS 330-14-3) is a chemical compound with molecular formula C8H4ClF3OS and molecular weight 239.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethylsulfanyl)benzoyl chloride
Also Known As: 4-(Trifluoromethylthio)benzoyl chloride, 4-((Trifluoromethyl)thio)benzoyl chloride, 4-(trifluoromethylsulfanyl)benzoyl chloride, 4-[(Trifluoromethyl)thio]benzoyl chloride, 4-(Trifluoromethylthio)benzoylchloride
| Molecular Formula | C8H4ClF3OS |
|---|---|
| Molecular Weight | 239.96 g/mol |
| LogP | 3.6775 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.96234 |
| Heavy Atoms | 14 |
| Complexity | 333.43478 |
Chemical Identifiers
| CAS Number | 330-14-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)Cl)SC(F)(F)F |
Product Overview
4-(Trifluoromethylthio)benzoyl chloride (CAS 330-14-3), with molecular formula C8H4ClF3OS and molecular weight 239.96 g/mol. IUPAC: 4-(trifluoromethylsulfanyl)benzoyl chloride.
Chemical Property Profile of 4-(Trifluoromethylthio)benzoyl chloride
Property Insights of 4-(Trifluoromethylthio)benzoyl chloride
The XLogP value of 3.6775 indicates that 4-(Trifluoromethylthio)benzoyl chloride 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-(Trifluoromethylthio)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethylthio)benzoyl chloride 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-(Trifluoromethylthio)benzoyl chloride?
The CAS number of 4-(Trifluoromethylthio)benzoyl chloride is 330-14-3.
What is the molecular formula of 4-(Trifluoromethylthio)benzoyl chloride?
The molecular formula of 4-(Trifluoromethylthio)benzoyl chloride is C8H4ClF3OS.
What is the molecular weight of 4-(Trifluoromethylthio)benzoyl chloride?
The molecular weight of 4-(Trifluoromethylthio)benzoyl chloride is 239.96 g/mol.
Where can I buy 4-(Trifluoromethylthio)benzoyl chloride?
You can request a quote for 4-(Trifluoromethylthio)benzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethylthio)benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethylthio)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.