1-[ethylsulfanyl(methyl)phosphoryl]oxyethane

C5H13O2PS — CID 520177

IUPAC1-[ethylsulfanyl(methyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)SCC
InChIInChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3
InChIKeyAIMOGGQLCCAPQJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP2.60
Rot. Bonds4

About 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane

1-[ethylsulfanyl(methyl)phosphoryl]oxyethane (PubChem CID 520177) has the molecular formula C5H13O2PS and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethylsulfanyl(methyl)phosphoryl]oxyethane
PubChem CID520177
Molecular FormulaC5H13O2PS
Molecular Weight168.20 g/mol
Exact Mass168.04
IUPAC Name1-[ethylsulfanyl(methyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)SCC
InChIInChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3
InChIKeyAIMOGGQLCCAPQJ-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[ethylsulfanyl(methyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane (CID 520177) is 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane is CCOP(C)(=O)SCC.
What is the InChIKey of 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane?
The InChIKey is AIMOGGQLCCAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2PS/c1-4-7-8(3,6)9-5-2/h4-5H2,1-3H3.
What are the key properties of 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane?
1-[ethylsulfanyl(methyl)phosphoryl]oxyethane has a molecular weight of 168.20 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethylsulfanyl(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 520177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).