ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane

C8H19OPS2 — CID 13296683

IUPACethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(CC)SCC(C)C
InChIInChI=1S/C8H19OPS2/c1-5-9-10(11,6-2)12-7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyFLUUZCYUOHSHPE-UHFFFAOYSA-N
MW226.35 g/mol
LogP3.74
Rot. Bonds6

About ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane

ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane (PubChem CID 13296683) has the molecular formula C8H19OPS2 and a molecular weight of 226.35 g/mol. Its IUPAC name is ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nameethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane
PubChem CID13296683
Molecular FormulaC8H19OPS2
Molecular Weight226.35 g/mol
Exact Mass226.06
IUPAC Nameethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCOP(=S)(CC)SCC(C)C
InChIInChI=1S/C8H19OPS2/c1-5-9-10(11,6-2)12-7-8(3)4/h8H,5-7H2,1-4H3
InChIKeyFLUUZCYUOHSHPE-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane (CID 13296683) is ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane is CCOP(=S)(CC)SCC(C)C.
What is the InChIKey of ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is FLUUZCYUOHSHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19OPS2/c1-5-9-10(11,6-2)12-7-8(3)4/h8H,5-7H2,1-4H3.
What are the key properties of ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane?
ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 226.35 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 13296683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).