![1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene structure](/static/products/6506/650615-78-4.webp)
1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene
TL;DR: 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene (CAS 650615-78-4) is a chemical compound with molecular formula C14H9BrF3NO2S and molecular weight 390.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(bromomethyl)phenyl]sulfanyl-2-nitro-4-(trifluoromethyl)benzene
Also Known As: 1-{[4-(bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene, 1-[4-(bromomethyl)phenyl]sulfanyl-2-nitro-4-(trifluoromethyl)benzene, 1-{[4-(bromomethyl)phenyl]sulfanyl}-2-nitro-4-(trifluoromethyl)benzene, 1-(((4-BROMOMETHYL)PHENYL)THIO)-2-NITRO-(TRIFLUOROMETHYL)BENZENE, 1-[(4-Bromomethyl)phenyl)thio)-2-nitro-(trifluoromethyl)benzene
| Molecular Formula | C14H9BrF3NO2S |
|---|---|
| Molecular Weight | 390.95 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.94894 |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 650615-78-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | PIDISHAWZWUURP-UHFFFAOYSA-N |
Product Overview
1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene (CAS 650615-78-4), with molecular formula C14H9BrF3NO2S and molecular weight 390.95 g/mol. IUPAC: 1-[4-(bromomethyl)phenyl]sulfanyl-2-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene
Property Insights of 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene
The XLogP value of 5.3 indicates that 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene. Following Lipinski's Rule of Five, 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene?
The CAS number of 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene is 650615-78-4.
What is the molecular formula of 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene?
The molecular formula of 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene is C14H9BrF3NO2S.
What is the molecular weight of 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene?
The molecular weight of 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene is 390.95 g/mol.
Where can I buy 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene?
You can request a quote for 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-{[4-(Bromomethyl)phenyl]thio}-2-nitro-4-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.