1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane

C6H15O4PS — CID 57178539

IUPAC1-[ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(CC)OCS(=O)C
InChIInChI=1S/C6H15O4PS/c1-4-9-11(7,5-2)10-6-12(3)8/h4-6H2,1-3H3
InChIKeyODQJEGQRZOMYTQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.60
Rot. Bonds6

About 1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane

1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane (PubChem CID 57178539) has the molecular formula C6H15O4PS and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-[ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane
PubChem CID57178539
Molecular FormulaC6H15O4PS
Molecular Weight214.22 g/mol
Exact Mass214.04
IUPAC Name1-[ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(CC)OCS(=O)C
InChIInChI=1S/C6H15O4PS/c1-4-9-11(7,5-2)10-6-12(3)8/h4-6H2,1-3H3
InChIKeyODQJEGQRZOMYTQ-UHFFFAOYSA-N
XLogP-0.60
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity194

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Diethyl P-((methylthio)methyl)phosphonate
CID 520377
Diethyl (methanesulfonylmethyl)phosphonate
CID 533797
O-Ethyl S-methyl ethylphosphonothioate
CID 17282
Diethyl (methanesulfinylmethyl)phosphonate
CID 11031207
Sodium(diethoxyphosphoryl)methanesulfinate
CID 165587580
(Diethoxyphosphoryl)methyl methanesulfonate
CID 21614542
1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane
CID 11053007
[Ethoxy(methyl)phosphoryl]methylidene-dimethyl-oxo-lambda6-sulfane
CID 12491674
Lithium 1-[ethoxy(methylsulfonylmethyl)phosphoryl]oxyethane
CID 14362596
Diethoxyphosphorylmethylidene-dimethyl-oxo-lambda6-sulfane
CID 23272699
S-methyl diethoxyphosphinylthioformate
CID 23280237
Diethyl [1-(methanesulfinyl)ethenyl]phosphonate
CID 23421834

Frequently Asked Questions

What is the IUPAC name of 1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane?
The IUPAC name of 1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane (CID 57178539) is 1-[ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane is CCOP(=O)(CC)OCS(=O)C.
What is the InChIKey of 1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane?
The InChIKey is ODQJEGQRZOMYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4PS/c1-4-9-11(7,5-2)10-6-12(3)8/h4-6H2,1-3H3.
What are the key properties of 1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane?
1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane has a molecular weight of 214.22 g/mol, XLogP of -0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[Ethyl(methylsulfinylmethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 57178539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).