diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane

C7H17O2PS2 — CID 11401922

IUPACdiethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCSP(=S)(OCC)OCC
InChIInChI=1S/C7H17O2PS2/c1-4-7-12-10(11,8-5-2)9-6-3/h4-7H2,1-3H3
InChIKeyDQJJCSVNNBGCJC-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.43
Rot. Bonds7

About diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane

diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 11401922) has the molecular formula C7H17O2PS2 and a molecular weight of 228.32 g/mol. Its IUPAC name is diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID11401922
Molecular FormulaC7H17O2PS2
Molecular Weight228.32 g/mol
Exact Mass228.04
IUPAC Namediethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESCCCSP(=S)(OCC)OCC
InChIInChI=1S/C7H17O2PS2/c1-4-7-12-10(11,8-5-2)9-6-3/h4-7H2,1-3H3
InChIKeyDQJJCSVNNBGCJC-UHFFFAOYSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.43
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 diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane (CID 11401922) is diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane is CCCSP(=S)(OCC)OCC.
What is the InChIKey of diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is DQJJCSVNNBGCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2PS2/c1-4-7-12-10(11,8-5-2)9-6-3/h4-7H2,1-3H3.
What are the key properties of diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane?
diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 228.32 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 11401922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).