diethoxy-sulfanylidene-sulfido-lambda5-phosphane

C4H10O2PS2- — CID 1385274

IUPACdiethoxy-sulfanylidene-sulfido-lambda5-phosphane
SMILESCCOP(=S)([S-])OCC
InChIInChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)/p-1
InChIKeyIRDLUHRVLVEUHA-UHFFFAOYSA-M
MW185.23 g/mol
LogP1.83
Rot. Bonds4

About diethoxy-sulfanylidene-sulfido-lambda5-phosphane

diethoxy-sulfanylidene-sulfido-lambda5-phosphane (PubChem CID 1385274) has the molecular formula C4H10O2PS2- and a molecular weight of 185.23 g/mol. Its IUPAC name is diethoxy-sulfanylidene-sulfido-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-sulfanylidene-sulfido-lambda5-phosphane
PubChem CID1385274
Molecular FormulaC4H10O2PS2-
Molecular Weight185.23 g/mol
Exact Mass184.99
IUPAC Namediethoxy-sulfanylidene-sulfido-lambda5-phosphane
SMILESCCOP(=S)([S-])OCC
InChIInChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)/p-1
InChIKeyIRDLUHRVLVEUHA-UHFFFAOYSA-M
XLogP1.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-sulfanylidene-sulfido-lambda5-phosphane?
The IUPAC name of diethoxy-sulfanylidene-sulfido-lambda5-phosphane (CID 1385274) is diethoxy-sulfanylidene-sulfido-lambda5-phosphane.
What is the SMILES notation for diethoxy-sulfanylidene-sulfido-lambda5-phosphane?
The canonical SMILES for diethoxy-sulfanylidene-sulfido-lambda5-phosphane is CCOP(=S)([S-])OCC.
What is the InChIKey of diethoxy-sulfanylidene-sulfido-lambda5-phosphane?
The InChIKey is IRDLUHRVLVEUHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)/p-1.
What are the key properties of diethoxy-sulfanylidene-sulfido-lambda5-phosphane?
diethoxy-sulfanylidene-sulfido-lambda5-phosphane has a molecular weight of 185.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-sulfanylidene-sulfido-lambda5-phosphane is sourced from PubChem (CID 1385274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).