![N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide structure](/static/products/6802/680213-02-9.webp)
N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide
TL;DR: N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide (CAS 680213-02-9) is a chemical compound with molecular formula C21H17F3NOPS2 and molecular weight 451.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diphenylphosphoryl-N-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]methanethioamide
Also Known As: N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide, 1-diphenylphosphoryl-N-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]methanethioamide, 1-(diphenylphosphoroso)-N-[2-(methylsulfanyl)-5-(trifluoromethyl)phenyl]methanethioamide, 1-(Diphenylphosphoryl)-N-(2-(methylthio)-5-(trifluoromethyl)phenyl)methanethioamide
| Molecular Formula | C21H17F3NOPS2 |
|---|---|
| Molecular Weight | 451.04 g/mol |
| LogP | 6.1382 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.04413 |
| Heavy Atoms | 29 |
| Complexity | 1013.0263 |
Chemical Identifiers
| CAS Number | 680213-02-9 |
|---|---|
| SMILES | CSC1=C(C=C(C=C1)C(F)(F)F)NC(=S)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide (CAS 680213-02-9), with molecular formula C21H17F3NOPS2 and molecular weight 451.04 g/mol. IUPAC: 1-diphenylphosphoryl-N-[2-methylsulfanyl-5-(trifluoromethyl)phenyl]methanethioamide.
Chemical Property Profile of N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide
Property Insights of N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide
The XLogP value of 6.1382 indicates that N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
The CAS number of N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is 680213-02-9.
What is the molecular formula of N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
The molecular formula of N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is C21H17F3NOPS2.
What is the molecular weight of N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
The molecular weight of N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is 451.04 g/mol.
Where can I buy N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
You can request a quote for N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(methylthio)-5-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.