1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane

C6H15O4PS — CID 11053007

IUPAC1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane
SMILESCCOP(=O)(C[S@](C)=O)OCC
InChIInChI=1S/C6H15O4PS/c1-4-9-11(7,10-5-2)6-12(3)8/h4-6H2,1-3H3/t12-/m0/s1
InChIKeyAOXOMZRWXATGKP-LBPRGKRZSA-N
MW214.22 g/mol
LogP1.59
Rot. Bonds6

About 1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane

1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane (PubChem CID 11053007) has the molecular formula C6H15O4PS and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane
PubChem CID11053007
Molecular FormulaC6H15O4PS
Molecular Weight214.22 g/mol
Exact Mass214.04
IUPAC Name1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane
SMILESCCOP(=O)(C[S@](C)=O)OCC
InChIInChI=1S/C6H15O4PS/c1-4-9-11(7,10-5-2)6-12(3)8/h4-6H2,1-3H3/t12-/m0/s1
InChIKeyAOXOMZRWXATGKP-LBPRGKRZSA-N
XLogP1.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.59
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-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane?
The IUPAC name of 1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane (CID 11053007) is 1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane?
The canonical SMILES for 1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane is CCOP(=O)(C[S@](C)=O)OCC.
What is the InChIKey of 1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane?
The InChIKey is AOXOMZRWXATGKP-LBPRGKRZSA-N. The full InChI is InChI=1S/C6H15O4PS/c1-4-9-11(7,10-5-2)6-12(3)8/h4-6H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane?
1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane has a molecular weight of 214.22 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy-[[(S)-methylsulfinyl]methyl]phosphoryl]oxyethane is sourced from PubChem (CID 11053007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).