diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane

C7H17O4PS — CID 23272699

IUPACdiethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane
SMILESCCOP(=O)(C=S(C)(C)=O)OCC
InChIInChI=1S/C7H17O4PS/c1-5-10-12(8,11-6-2)7-13(3,4)9/h7H,5-6H2,1-4H3
InChIKeyMKEQBHKMHNLACT-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.56
Rot. Bonds5

About diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane

diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane (PubChem CID 23272699) has the molecular formula C7H17O4PS and a molecular weight of 228.25 g/mol. Its IUPAC name is diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Namediethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane
PubChem CID23272699
Molecular FormulaC7H17O4PS
Molecular Weight228.25 g/mol
Exact Mass228.06
IUPAC Namediethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane
SMILESCCOP(=O)(C=S(C)(C)=O)OCC
InChIInChI=1S/C7H17O4PS/c1-5-10-12(8,11-6-2)7-13(3,4)9/h7H,5-6H2,1-4H3
InChIKeyMKEQBHKMHNLACT-UHFFFAOYSA-N
XLogP1.56
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane?
The IUPAC name of diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane (CID 23272699) is diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane is CCOP(=O)(C=S(C)(C)=O)OCC.
What is the InChIKey of diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane?
The InChIKey is MKEQBHKMHNLACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O4PS/c1-5-10-12(8,11-6-2)7-13(3,4)9/h7H,5-6H2,1-4H3.
What are the key properties of diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane?
diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane has a molecular weight of 228.25 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethylidene-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 23272699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).