cyano(ethoxy)phosphinate;trimethylsulfanium

C6H14NO3PS — CID 10727206

IUPACcyano(ethoxy)phosphinate;trimethylsulfanium
SMILESCCOP(=O)([O-])C#N.C[S+](C)C
InChIInChI=1S/C3H6NO3P.C3H9S/c1-2-7-8(5,6)3-4;1-4(2)3/h2H2,1H3,(H,5,6);1-3H3/q;+1/p-1
InChIKeyIFDYUENQDILKPA-UHFFFAOYSA-M
MW211.22 g/mol
LogP0.55
Rot. Bonds2

About cyano(ethoxy)phosphinate;trimethylsulfanium

cyano(ethoxy)phosphinate;trimethylsulfanium (PubChem CID 10727206) has the molecular formula C6H14NO3PS and a molecular weight of 211.22 g/mol. Its IUPAC name is cyano(ethoxy)phosphinate;trimethylsulfanium.

Molecular Properties

Compound Namecyano(ethoxy)phosphinate;trimethylsulfanium
PubChem CID10727206
Molecular FormulaC6H14NO3PS
Molecular Weight211.22 g/mol
Exact Mass211.04
IUPAC Namecyano(ethoxy)phosphinate;trimethylsulfanium
SMILESCCOP(=O)([O-])C#N.C[S+](C)C
InChIInChI=1S/C3H6NO3P.C3H9S/c1-2-7-8(5,6)3-4;1-4(2)3/h2H2,1H3,(H,5,6);1-3H3/q;+1/p-1
InChIKeyIFDYUENQDILKPA-UHFFFAOYSA-M
XLogP0.55
TPSA73.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyano(ethoxy)phosphinate;trimethylsulfanium?
The IUPAC name of cyano(ethoxy)phosphinate;trimethylsulfanium (CID 10727206) is cyano(ethoxy)phosphinate;trimethylsulfanium.
What is the SMILES notation for cyano(ethoxy)phosphinate;trimethylsulfanium?
The canonical SMILES for cyano(ethoxy)phosphinate;trimethylsulfanium is CCOP(=O)([O-])C#N.C[S+](C)C.
What is the InChIKey of cyano(ethoxy)phosphinate;trimethylsulfanium?
The InChIKey is IFDYUENQDILKPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6NO3P.C3H9S/c1-2-7-8(5,6)3-4;1-4(2)3/h2H2,1H3,(H,5,6);1-3H3/q;+1/p-1.
What are the key properties of cyano(ethoxy)phosphinate;trimethylsulfanium?
cyano(ethoxy)phosphinate;trimethylsulfanium has a molecular weight of 211.22 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(ethoxy)phosphinate;trimethylsulfanium is sourced from PubChem (CID 10727206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).