4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide

CH3O4PS — CID 70637206

IUPAC4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide
SMILESCOP1(=O)OSO1
InChIInChI=1S/CH3O4PS/c1-3-6(2)4-7-5-6/h1H3
InChIKeyQHIZAQHPSLLCIH-UHFFFAOYSA-N
MW142.07 g/mol
LogP1.35
Rot. Bonds1

About 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide

4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide (PubChem CID 70637206) has the molecular formula CH3O4PS and a molecular weight of 142.07 g/mol. Its IUPAC name is 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide.

Molecular Properties

Compound Name4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide
PubChem CID70637206
Molecular FormulaCH3O4PS
Molecular Weight142.07 g/mol
Exact Mass141.95
IUPAC Name4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide
SMILESCOP1(=O)OSO1
InChIInChI=1S/CH3O4PS/c1-3-6(2)4-7-5-6/h1H3
InChIKeyQHIZAQHPSLLCIH-UHFFFAOYSA-N
XLogP1.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.07
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide?
The IUPAC name of 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide (CID 70637206) is 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide.
What is the SMILES notation for 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide?
The canonical SMILES for 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide is COP1(=O)OSO1.
What is the InChIKey of 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide?
The InChIKey is QHIZAQHPSLLCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O4PS/c1-3-6(2)4-7-5-6/h1H3.
What are the key properties of 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide?
4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide has a molecular weight of 142.07 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3,2,4λ5-dioxathiaphosphetane 4-oxide is sourced from PubChem (CID 70637206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).