diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane

C11H17O5PS2 — CID 26595

IUPACdiethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H17O5PS2/c1-4-14-17(18,15-5-2)16-10-6-8-11(9-7-10)19(3,12)13/h6-9H,4-5H2,1-3H3
InChIKeyVTFZEBCYVXMEBB-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.77
Rot. Bonds7

About diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane

diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane (PubChem CID 26595) has the molecular formula C11H17O5PS2 and a molecular weight of 324.36 g/mol. Its IUPAC name is diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane
PubChem CID26595
Molecular FormulaC11H17O5PS2
Molecular Weight324.36 g/mol
Exact Mass324.03
IUPAC Namediethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H17O5PS2/c1-4-14-17(18,15-5-2)16-10-6-8-11(9-7-10)19(3,12)13/h6-9H,4-5H2,1-3H3
InChIKeyVTFZEBCYVXMEBB-UHFFFAOYSA-N
XLogP2.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane (CID 26595) is diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane is CCOP(=S)(OCC)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is VTFZEBCYVXMEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O5PS2/c1-4-14-17(18,15-5-2)16-10-6-8-11(9-7-10)19(3,12)13/h6-9H,4-5H2,1-3H3.
What are the key properties of diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane?
diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 324.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-(4-methylsulfonylphenoxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 26595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).