diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

C7H17O3PS3 — CID 17424

IUPACdiethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCS(=O)CC
InChIInChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
InChIKeyXRQHTUDGPWMPKX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.74
Rot. Bonds8

About diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (PubChem CID 17424) has the molecular formula C7H17O3PS3 and a molecular weight of 276.38 g/mol. Its IUPAC name is diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
PubChem CID17424
Molecular FormulaC7H17O3PS3
Molecular Weight276.38 g/mol
Exact Mass276.01
IUPAC Namediethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCS(=O)CC
InChIInChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
InChIKeyXRQHTUDGPWMPKX-UHFFFAOYSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (CID 17424) is diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SCS(=O)CC.
What is the InChIKey of diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is XRQHTUDGPWMPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3.
What are the key properties of diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 276.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 17424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).