2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

C10H20O4P2S2 — CID 550049

IUPAC2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1(C)COP(=S)(P2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O4P2S2/c1-9(2)5-11-15(17,12-6-9)16(18)13-7-10(3,4)8-14-16/h5-8H2,1-4H3
InChIKeyQSWJZEAZEDTWLF-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.67
Rot. Bonds1

About 2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (PubChem CID 550049) has the molecular formula C10H20O4P2S2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.

Molecular Properties

Compound Name2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
PubChem CID550049
Molecular FormulaC10H20O4P2S2
Molecular Weight330.35 g/mol
Exact Mass330.03
IUPAC Name2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
SMILESCC1(C)COP(=S)(P2(=S)OCC(C)(C)CO2)OC1
InChIInChI=1S/C10H20O4P2S2/c1-9(2)5-11-15(17,12-6-9)16(18)13-7-10(3,4)8-14-16/h5-8H2,1-4H3
InChIKeyQSWJZEAZEDTWLF-UHFFFAOYSA-N
XLogP3.67
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The IUPAC name of 2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane (CID 550049) is 2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane.
What is the SMILES notation for 2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The canonical SMILES for 2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is CC1(C)COP(=S)(P2(=S)OCC(C)(C)CO2)OC1.
What is the InChIKey of 2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
The InChIKey is QSWJZEAZEDTWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4P2S2/c1-9(2)5-11-15(17,12-6-9)16(18)13-7-10(3,4)8-14-16/h5-8H2,1-4H3.
What are the key properties of 2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane?
2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane has a molecular weight of 330.35 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)-5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane is sourced from PubChem (CID 550049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).