diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

C7H17O4PS3 — CID 17425

IUPACdiethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCS(=O)(=O)CC
InChIInChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3
InChIKeyYVPSNUIHHFTTRL-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.41
Rot. Bonds8

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

diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (PubChem CID 17425) has the molecular formula C7H17O4PS3 and a molecular weight of 292.38 g/mol. Its IUPAC name is diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
PubChem CID17425
Molecular FormulaC7H17O4PS3
Molecular Weight292.38 g/mol
Exact Mass292.00
IUPAC Namediethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)SCS(=O)(=O)CC
InChIInChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3
InChIKeyYVPSNUIHHFTTRL-UHFFFAOYSA-N
XLogP2.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.41
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 diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (CID 17425) is diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)SCS(=O)(=O)CC.
What is the InChIKey of diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is YVPSNUIHHFTTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3.
What are the key properties of diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 292.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 17425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).