1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane

C6H15O3PS — CID 14459

IUPAC1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)SCC
InChIInChI=1S/C6H15O3PS/c1-4-8-10(7,9-5-2)11-6-3/h4-6H2,1-3H3
InChIKeyYEXTYUIZRKSYHA-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.92
Rot. Bonds6

About 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane

1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane (PubChem CID 14459) has the molecular formula C6H15O3PS and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane
PubChem CID14459
Molecular FormulaC6H15O3PS
Molecular Weight198.22 g/mol
Exact Mass198.05
IUPAC Name1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)SCC
InChIInChI=1S/C6H15O3PS/c1-4-8-10(7,9-5-2)11-6-3/h4-6H2,1-3H3
InChIKeyYEXTYUIZRKSYHA-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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(ethylsulfanyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane (CID 14459) is 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane is CCOP(=O)(OCC)SCC.
What is the InChIKey of 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane?
The InChIKey is YEXTYUIZRKSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3PS/c1-4-8-10(7,9-5-2)11-6-3/h4-6H2,1-3H3.
What are the key properties of 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane?
1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane has a molecular weight of 198.22 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane is sourced from PubChem (CID 14459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).