1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane

C6H15O4PS2 — CID 4618

IUPAC1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane
SMILESCCS(=O)CCSP(=O)(OC)OC
InChIInChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3
InChIKeyPMCVMORKVPSKHZ-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.89
Rot. Bonds7

About 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane

1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane (PubChem CID 4618) has the molecular formula C6H15O4PS2 and a molecular weight of 246.29 g/mol. Its IUPAC name is 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane.

Molecular Properties

Compound Name1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane
PubChem CID4618
Molecular FormulaC6H15O4PS2
Molecular Weight246.29 g/mol
Exact Mass246.01
IUPAC Name1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane
SMILESCCS(=O)CCSP(=O)(OC)OC
InChIInChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3
InChIKeyPMCVMORKVPSKHZ-UHFFFAOYSA-N
XLogP1.89
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane?
The IUPAC name of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane (CID 4618) is 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane.
What is the SMILES notation for 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane?
The canonical SMILES for 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane is CCS(=O)CCSP(=O)(OC)OC.
What is the InChIKey of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane?
The InChIKey is PMCVMORKVPSKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3.
What are the key properties of 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane?
1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane has a molecular weight of 246.29 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane is sourced from PubChem (CID 4618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).