diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane

C9H21O2PS4 — CID 10914202

IUPACdiethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCOC(OCC)SP(=S)(SCC)SCC
InChIInChI=1S/C9H21O2PS4/c1-5-10-9(11-6-2)16-12(13,14-7-3)15-8-4/h9H,5-8H2,1-4H3
InChIKeyQQCJXGQGARJOTN-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.81
Rot. Bonds10

About diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane

diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 10914202) has the molecular formula C9H21O2PS4 and a molecular weight of 320.51 g/mol. Its IUPAC name is diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namediethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID10914202
Molecular FormulaC9H21O2PS4
Molecular Weight320.51 g/mol
Exact Mass320.02
IUPAC Namediethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESCCOC(OCC)SP(=S)(SCC)SCC
InChIInChI=1S/C9H21O2PS4/c1-5-10-9(11-6-2)16-12(13,14-7-3)15-8-4/h9H,5-8H2,1-4H3
InChIKeyQQCJXGQGARJOTN-UHFFFAOYSA-N
XLogP4.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane (CID 10914202) is diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane is CCOC(OCC)SP(=S)(SCC)SCC.
What is the InChIKey of diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is QQCJXGQGARJOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O2PS4/c1-5-10-9(11-6-2)16-12(13,14-7-3)15-8-4/h9H,5-8H2,1-4H3.
What are the key properties of diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane?
diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 320.51 g/mol, XLogP of 4.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethylsulfanyl-bis(ethylsulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 10914202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).