Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide
TL;DR: Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide (CAS 866132-57-2) is a chemical compound with molecular formula C14H10F3NO2S and molecular weight 313.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-1-nitro-4-(trifluoromethyl)benzene
Also Known As: benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide, 2-(benzylsulfanyl)-1-nitro-4-(trifluoromethyl)benzene, 2-benzylsulfanyl-1-nitro-4-(trifluoromethyl)benzene, 7W-0008
| Molecular Formula | C14H10F3NO2S |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 4.9059 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.03842 |
| Heavy Atoms | 21 |
| Complexity | 644.41254 |
Chemical Identifiers
| CAS Number | 866132-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C=CC(=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide (CAS 866132-57-2), with molecular formula C14H10F3NO2S and molecular weight 313.04 g/mol. IUPAC: 2-benzylsulfanyl-1-nitro-4-(trifluoromethyl)benzene.
Chemical Property Profile of Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide
Property Insights of Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide
The XLogP value of 4.9059 indicates that Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide has 0 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 Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide?
The CAS number of Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide is 866132-57-2.
What is the molecular formula of Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide?
The molecular formula of Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide is C14H10F3NO2S.
What is the molecular weight of Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide?
The molecular weight of Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide is 313.04 g/mol.
Where can I buy Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide?
You can request a quote for Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-nitro-5-(trifluoromethyl)phenyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.