Difluoroisothiocyanatophosphine
TL;DR: Difluoroisothiocyanatophosphine (CAS 461-60-9) is a chemical compound with molecular formula C(=NP(F)F)=S and molecular weight 126.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
difluoro(isothiocyanato)phosphane
Also Known As: Difluoroisothiocyanatophosphine, difluoro(isothiocyanato)phosphane, phosphorisothiocyanatidous difluoride, Phosphoro(isothiocyanatidous) difluoride, Phosphor(isothiocyanatidous) difluoride
| Molecular Formula | C(=NP(F)F)=S |
|---|---|
| Molecular Weight | 126.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.94572 |
| Heavy Atoms | 6 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 461-60-9 |
|---|---|
| SMILES | C(=NP(F)F)=S |
| InChIKey | VKFJZCULEBTXGS-UHFFFAOYSA-N |
Product Overview
Difluoroisothiocyanatophosphine (CAS 461-60-9), with molecular formula C(=NP(F)F)=S and molecular weight 126.95 g/mol. IUPAC: difluoro(isothiocyanato)phosphane.
Chemical Property Profile of Difluoroisothiocyanatophosphine
Property Insights of Difluoroisothiocyanatophosphine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Difluoroisothiocyanatophosphine. With a topological polar surface area (TPSA) of 44.5 Ų, Difluoroisothiocyanatophosphine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Difluoroisothiocyanatophosphine has 0 hydrogen bond donor(s) and 4 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 Difluoroisothiocyanatophosphine?
The CAS number of Difluoroisothiocyanatophosphine is 461-60-9.
What is the molecular formula of Difluoroisothiocyanatophosphine?
The molecular formula of Difluoroisothiocyanatophosphine is C(=NP(F)F)=S.
What is the molecular weight of Difluoroisothiocyanatophosphine?
The molecular weight of Difluoroisothiocyanatophosphine is 126.95 g/mol.
Where can I buy Difluoroisothiocyanatophosphine?
You can request a quote for Difluoroisothiocyanatophosphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Difluoroisothiocyanatophosphine?
Yes, KEHONG BIO provides custom synthesis services for Difluoroisothiocyanatophosphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.