1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane

C7H17O5PS2 — CID 17427

IUPAC1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)SCS(=O)(=O)CC
InChIInChI=1S/C7H17O5PS2/c1-4-11-13(8,12-5-2)14-7-15(9,10)6-3/h4-7H2,1-3H3
InChIKeyIIMUEPCADBPEMF-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.29
Rot. Bonds8

About 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane

1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane (PubChem CID 17427) has the molecular formula C7H17O5PS2 and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane
PubChem CID17427
Molecular FormulaC7H17O5PS2
Molecular Weight276.32 g/mol
Exact Mass276.03
IUPAC Name1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)SCS(=O)(=O)CC
InChIInChI=1S/C7H17O5PS2/c1-4-11-13(8,12-5-2)14-7-15(9,10)6-3/h4-7H2,1-3H3
InChIKeyIIMUEPCADBPEMF-UHFFFAOYSA-N
XLogP2.29
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.29
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 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane (CID 17427) is 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane is CCOP(=O)(OCC)SCS(=O)(=O)CC.
What is the InChIKey of 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane?
The InChIKey is IIMUEPCADBPEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O5PS2/c1-4-11-13(8,12-5-2)14-7-15(9,10)6-3/h4-7H2,1-3H3.
What are the key properties of 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane?
1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane has a molecular weight of 276.32 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethylsulfonylmethylsulfanyl)phosphoryl]oxyethane is sourced from PubChem (CID 17427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).