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N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide
TL;DR: N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide (CAS 680213-01-8) is a chemical compound with molecular formula C20H15F3NOPS and molecular weight 405.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diphenylphosphoryl-N-[4-(trifluoromethyl)phenyl]methanethioamide
Also Known As: 1-diphenylphosphoryl-N-[4-(trifluoromethyl)phenyl]methanethioamide, N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide, 1-(Diphenylphosphoryl)-N-(4-(trifluoromethyl)phenyl)methanethioamide, 1-(diphenylphosphoroso)-N-[4-(trifluoromethyl)phenyl]methanethioamide
| Molecular Formula | C20H15F3NOPS |
|---|---|
| Molecular Weight | 405.06 g/mol |
| LogP | 5.4163 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.0564 |
| Heavy Atoms | 27 |
| Complexity | 930.11847 |
Chemical Identifiers
| CAS Number | 680213-01-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(=S)NC3=CC=C(C=C3)C(F)(F)F |
Product Overview
N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide (CAS 680213-01-8), with molecular formula C20H15F3NOPS and molecular weight 405.06 g/mol. IUPAC: 1-diphenylphosphoryl-N-[4-(trifluoromethyl)phenyl]methanethioamide.
Chemical Property Profile of N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide
Property Insights of N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide
The XLogP value of 5.4163 indicates that N-[4-(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-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
The CAS number of N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is 680213-01-8.
What is the molecular formula of N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
The molecular formula of N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is C20H15F3NOPS.
What is the molecular weight of N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
The molecular weight of N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide is 405.06 g/mol.
Where can I buy N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
You can request a quote for N-[4-(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-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(trifluoromethyl)phenyl]oxo(diphenyl)phosphoranecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.