2-[amino(ethoxy)phosphinothioyl]oxypyridine

C7H11N2O2PS — CID 54273491

IUPAC2-[amino(ethoxy)phosphinothioyl]oxypyridine
SMILESCCOP(N)(=S)Oc1ccccn1
InChIInChI=1S/C7H11N2O2PS/c1-2-10-12(8,13)11-7-5-3-4-6-9-7/h3-6H,2H2,1H3,(H2,8,13)
InChIKeyRLUJWCHMBGVIBZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.68
Rot. Bonds4

About 2-[amino(ethoxy)phosphinothioyl]oxypyridine

2-[amino(ethoxy)phosphinothioyl]oxypyridine (PubChem CID 54273491) has the molecular formula C7H11N2O2PS and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-[amino(ethoxy)phosphinothioyl]oxypyridine.

Molecular Properties

Compound Name2-[amino(ethoxy)phosphinothioyl]oxypyridine
PubChem CID54273491
Molecular FormulaC7H11N2O2PS
Molecular Weight218.22 g/mol
Exact Mass218.03
IUPAC Name2-[amino(ethoxy)phosphinothioyl]oxypyridine
SMILESCCOP(N)(=S)Oc1ccccn1
InChIInChI=1S/C7H11N2O2PS/c1-2-10-12(8,13)11-7-5-3-4-6-9-7/h3-6H,2H2,1H3,(H2,8,13)
InChIKeyRLUJWCHMBGVIBZ-UHFFFAOYSA-N
XLogP1.68
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(ethoxy)phosphinothioyl]oxypyridine?
The IUPAC name of 2-[amino(ethoxy)phosphinothioyl]oxypyridine (CID 54273491) is 2-[amino(ethoxy)phosphinothioyl]oxypyridine.
What is the SMILES notation for 2-[amino(ethoxy)phosphinothioyl]oxypyridine?
The canonical SMILES for 2-[amino(ethoxy)phosphinothioyl]oxypyridine is CCOP(N)(=S)Oc1ccccn1.
What is the InChIKey of 2-[amino(ethoxy)phosphinothioyl]oxypyridine?
The InChIKey is RLUJWCHMBGVIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O2PS/c1-2-10-12(8,13)11-7-5-3-4-6-9-7/h3-6H,2H2,1H3,(H2,8,13).
What are the key properties of 2-[amino(ethoxy)phosphinothioyl]oxypyridine?
2-[amino(ethoxy)phosphinothioyl]oxypyridine has a molecular weight of 218.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(ethoxy)phosphinothioyl]oxypyridine is sourced from PubChem (CID 54273491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).