1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide
TL;DR: 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide (CAS 680213-06-3) is a chemical compound with molecular formula C21H16NOPS and molecular weight 361.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide
Also Known As: 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide, N-(3-eth-1-ynylphenyl)oxo(diphenyl)phosphoranecarbothioamide, 1-(Diphenylphosphoryl)-N-(3-ethynylphenyl)methanethioamide, 1-(diphenylphosphoroso)-N-(3-ethynylphenyl)methanethioamide
| Molecular Formula | C21H16NOPS |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 4.3788 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 361.06903 |
| Heavy Atoms | 25 |
| Complexity | 934.0377 |
Chemical Identifiers
| CAS Number | 680213-06-3 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)NC(=S)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide (CAS 680213-06-3), with molecular formula C21H16NOPS and molecular weight 361.07 g/mol. IUPAC: 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide.
Chemical Property Profile of 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide
Property Insights of 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide
The XLogP value of 4.3788 indicates that 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide has 1 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 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide?
The CAS number of 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide is 680213-06-3.
What is the molecular formula of 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide?
The molecular formula of 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide is C21H16NOPS.
What is the molecular weight of 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide?
The molecular weight of 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide is 361.07 g/mol.
Where can I buy 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide?
You can request a quote for 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-diphenylphosphoryl-N-(3-ethynylphenyl)methanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.