2-Diphenylphosphinothioyl-2-methylpropanenitrile
TL;DR: 2-Diphenylphosphinothioyl-2-methylpropanenitrile (CAS 5727-80-0) is a chemical compound with molecular formula C16H16NPS and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diphenylphosphinothioyl-2-methylpropanenitrile
Also Known As: J1.059.337I, 2-diphenylphosphinothioyl-2-methylpropanenitrile, 2-(Diphenylthiophophinyl)-2-methylpropiononitrile, 2-diphenylphosphinothioyl-2-methyl-propanenitrile, 3-(4-chlorophenyl)sulfanyl-N-(propan-2-ylideneamino)propanamide
| Molecular Formula | C16H16NPS |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 3.41908 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.0741 |
| Heavy Atoms | 19 |
| Complexity | 597.9541 |
Chemical Identifiers
| CAS Number | 5727-80-0 |
|---|---|
| SMILES | CC(C)(C#N)P(=S)(C1=CC=CC=C1)C2=CC=CC=C2 |
Product Overview
2-Diphenylphosphinothioyl-2-methylpropanenitrile (CAS 5727-80-0), with molecular formula C16H16NPS and molecular weight 285.07 g/mol. IUPAC: 2-diphenylphosphinothioyl-2-methylpropanenitrile.
Chemical Property Profile of 2-Diphenylphosphinothioyl-2-methylpropanenitrile
Property Insights of 2-Diphenylphosphinothioyl-2-methylpropanenitrile
The XLogP value of 3.41908 indicates that 2-Diphenylphosphinothioyl-2-methylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.79 Ų, 2-Diphenylphosphinothioyl-2-methylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Diphenylphosphinothioyl-2-methylpropanenitrile has 0 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 2-Diphenylphosphinothioyl-2-methylpropanenitrile?
The CAS number of 2-Diphenylphosphinothioyl-2-methylpropanenitrile is 5727-80-0.
What is the molecular formula of 2-Diphenylphosphinothioyl-2-methylpropanenitrile?
The molecular formula of 2-Diphenylphosphinothioyl-2-methylpropanenitrile is C16H16NPS.
What is the molecular weight of 2-Diphenylphosphinothioyl-2-methylpropanenitrile?
The molecular weight of 2-Diphenylphosphinothioyl-2-methylpropanenitrile is 285.07 g/mol.
Where can I buy 2-Diphenylphosphinothioyl-2-methylpropanenitrile?
You can request a quote for 2-Diphenylphosphinothioyl-2-methylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Diphenylphosphinothioyl-2-methylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Diphenylphosphinothioyl-2-methylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.