Acetonitrile, (diphenylphosphinothioyl)-
TL;DR: Acetonitrile, (diphenylphosphinothioyl)- (CAS 69039-10-7) is a chemical compound with molecular formula C14H12NPS and molecular weight 257.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diphenylphosphinothioylacetonitrile
Also Known As: thiophosphorylacetonitrile, Acetonitrile, (diphenylphosphinothioyl)-, diphenylthiophosphorylacetonitrile, (diphenylphosphorothioyl)acetonitrile, 2-diphenylphosphinothioylacetonitrile
| Molecular Formula | C14H12NPS |
|---|---|
| Molecular Weight | 257.04 g/mol |
| LogP | 2.64048 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.04282 |
| Heavy Atoms | 17 |
| Complexity | 528.67615 |
Chemical Identifiers
| CAS Number | 69039-10-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=S)(CC#N)C2=CC=CC=C2 |
Product Overview
Acetonitrile, (diphenylphosphinothioyl)- (CAS 69039-10-7), with molecular formula C14H12NPS and molecular weight 257.04 g/mol. IUPAC: 2-diphenylphosphinothioylacetonitrile.
Chemical Property Profile of Acetonitrile, (diphenylphosphinothioyl)-
Property Insights of Acetonitrile, (diphenylphosphinothioyl)-
The XLogP value of 2.64048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetonitrile, (diphenylphosphinothioyl)-. With a topological polar surface area (TPSA) of 23.79 Ų, Acetonitrile, (diphenylphosphinothioyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetonitrile, (diphenylphosphinothioyl)- 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 Acetonitrile, (diphenylphosphinothioyl)-?
The CAS number of Acetonitrile, (diphenylphosphinothioyl)- is 69039-10-7.
What is the molecular formula of Acetonitrile, (diphenylphosphinothioyl)-?
The molecular formula of Acetonitrile, (diphenylphosphinothioyl)- is C14H12NPS.
What is the molecular weight of Acetonitrile, (diphenylphosphinothioyl)-?
The molecular weight of Acetonitrile, (diphenylphosphinothioyl)- is 257.04 g/mol.
Where can I buy Acetonitrile, (diphenylphosphinothioyl)-?
You can request a quote for Acetonitrile, (diphenylphosphinothioyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetonitrile, (diphenylphosphinothioyl)-?
Yes, KEHONG BIO provides custom synthesis services for Acetonitrile, (diphenylphosphinothioyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.