potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine

C7H8ClKNO2PS — CID 23715458

IUPACpotassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine
SMILESCNP([O-])(=S)Oc1ccc(Cl)cc1.[K+]
InChIInChI=1S/C7H9ClNO2PS.K/c1-9-12(10,13)11-7-4-2-6(8)3-5-7;/h2-5H,1H3,(H2,9,10,13);/q;+1/p-1
InChIKeyYQZRSBIGHQQGAO-UHFFFAOYSA-M
MW275.74 g/mol
LogP-1.47
Rot. Bonds3

About potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine

potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine (PubChem CID 23715458) has the molecular formula C7H8ClKNO2PS and a molecular weight of 275.74 g/mol. Its IUPAC name is potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine.

Molecular Properties

Compound Namepotassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine
PubChem CID23715458
Molecular FormulaC7H8ClKNO2PS
Molecular Weight275.74 g/mol
Exact Mass274.93
IUPAC Namepotassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine
SMILESCNP([O-])(=S)Oc1ccc(Cl)cc1.[K+]
InChIInChI=1S/C7H9ClNO2PS.K/c1-9-12(10,13)11-7-4-2-6(8)3-5-7;/h2-5H,1H3,(H2,9,10,13);/q;+1/p-1
InChIKeyYQZRSBIGHQQGAO-UHFFFAOYSA-M
XLogP-1.47
TPSA44.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine?
The IUPAC name of potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine (CID 23715458) is potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine.
What is the SMILES notation for potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine?
The canonical SMILES for potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine is CNP([O-])(=S)Oc1ccc(Cl)cc1.[K+].
What is the InChIKey of potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine?
The InChIKey is YQZRSBIGHQQGAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H9ClNO2PS.K/c1-9-12(10,13)11-7-4-2-6(8)3-5-7;/h2-5H,1H3,(H2,9,10,13);/q;+1/p-1.
What are the key properties of potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine?
potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine has a molecular weight of 275.74 g/mol, XLogP of -1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine is sourced from PubChem (CID 23715458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).