4-diethoxyphosphinothioyloxyaniline

C10H16NO3PS — CID 220

IUPAC4-diethoxyphosphinothioyloxyaniline
SMILESCCOP(=S)(OCC)Oc1ccc(N)cc1
InChIInChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyXIZOTXGJXSTQDI-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.95
Rot. Bonds6

About 4-diethoxyphosphinothioyloxyaniline

4-diethoxyphosphinothioyloxyaniline (PubChem CID 220) has the molecular formula C10H16NO3PS and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-diethoxyphosphinothioyloxyaniline.

Molecular Properties

Compound Name4-diethoxyphosphinothioyloxyaniline
PubChem CID220
Molecular FormulaC10H16NO3PS
Molecular Weight261.28 g/mol
Exact Mass261.06
IUPAC Name4-diethoxyphosphinothioyloxyaniline
SMILESCCOP(=S)(OCC)Oc1ccc(N)cc1
InChIInChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
InChIKeyXIZOTXGJXSTQDI-UHFFFAOYSA-N
XLogP2.95
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-diethoxyphosphinothioyloxyaniline?
The IUPAC name of 4-diethoxyphosphinothioyloxyaniline (CID 220) is 4-diethoxyphosphinothioyloxyaniline.
What is the SMILES notation for 4-diethoxyphosphinothioyloxyaniline?
The canonical SMILES for 4-diethoxyphosphinothioyloxyaniline is CCOP(=S)(OCC)Oc1ccc(N)cc1.
What is the InChIKey of 4-diethoxyphosphinothioyloxyaniline?
The InChIKey is XIZOTXGJXSTQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3.
What are the key properties of 4-diethoxyphosphinothioyloxyaniline?
4-diethoxyphosphinothioyloxyaniline has a molecular weight of 261.28 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diethoxyphosphinothioyloxyaniline is sourced from PubChem (CID 220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).