2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

C5H11O3PS — CID 12654504

IUPAC2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCOP1(=S)OCCC(C)O1
InChIInChI=1S/C5H11O3PS/c1-5-3-4-7-9(10,6-2)8-5/h5H,3-4H2,1-2H3
InChIKeyFHQQAGWHBNMDDE-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.68
Rot. Bonds1

About 2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane

2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (PubChem CID 12654504) has the molecular formula C5H11O3PS and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.

Molecular Properties

Compound Name2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
PubChem CID12654504
Molecular FormulaC5H11O3PS
Molecular Weight182.18 g/mol
Exact Mass182.02
IUPAC Name2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane
SMILESCOP1(=S)OCCC(C)O1
InChIInChI=1S/C5H11O3PS/c1-5-3-4-7-9(10,6-2)8-5/h5H,3-4H2,1-2H3
InChIKeyFHQQAGWHBNMDDE-UHFFFAOYSA-N
XLogP1.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
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-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The IUPAC name of 2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane (CID 12654504) is 2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane.
What is the SMILES notation for 2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The canonical SMILES for 2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is COP1(=S)OCCC(C)O1.
What is the InChIKey of 2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
The InChIKey is FHQQAGWHBNMDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O3PS/c1-5-3-4-7-9(10,6-2)8-5/h5H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane?
2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane has a molecular weight of 182.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-2-sulfanylidene-1,3,2λ5-dioxaphosphinane is sourced from PubChem (CID 12654504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).