diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane

C7H13O2PS2 — CID 13201873

IUPACdiethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESC#CCSP(=S)(OCC)OCC
InChIInChI=1S/C7H13O2PS2/c1-4-7-12-10(11,8-5-2)9-6-3/h1H,5-7H2,2-3H3
InChIKeyDOGYNDKKJJTLQG-UHFFFAOYSA-N
MW224.29 g/mol
LogP2.65
Rot. Bonds6

About diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane

diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane (PubChem CID 13201873) has the molecular formula C7H13O2PS2 and a molecular weight of 224.29 g/mol. Its IUPAC name is diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namediethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane
PubChem CID13201873
Molecular FormulaC7H13O2PS2
Molecular Weight224.29 g/mol
Exact Mass224.01
IUPAC Namediethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane
SMILESC#CCSP(=S)(OCC)OCC
InChIInChI=1S/C7H13O2PS2/c1-4-7-12-10(11,8-5-2)9-6-3/h1H,5-7H2,2-3H3
InChIKeyDOGYNDKKJJTLQG-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane (CID 13201873) is diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane is C#CCSP(=S)(OCC)OCC.
What is the InChIKey of diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane?
The InChIKey is DOGYNDKKJJTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O2PS2/c1-4-7-12-10(11,8-5-2)9-6-3/h1H,5-7H2,2-3H3.
What are the key properties of diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane?
diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane has a molecular weight of 224.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-prop-2-ynylsulfanyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13201873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).