2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane

C12H30O6P2S4 — CID 23447081

IUPAC2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCCSCCOP(=S)(OC)OC.CCSCCOP(=S)(OC)OC
InChIInChI=1S/2C6H15O3PS2/c2*1-4-12-6-5-9-10(11,7-2)8-3/h2*4-6H2,1-3H3
InChIKeyZGHQSBHMTDKNBG-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.55
Rot. Bonds14

About 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane

2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane (PubChem CID 23447081) has the molecular formula C12H30O6P2S4 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane
PubChem CID23447081
Molecular FormulaC12H30O6P2S4
Molecular Weight460.58 g/mol
Exact Mass460.04
IUPAC Name2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane
SMILESCCSCCOP(=S)(OC)OC.CCSCCOP(=S)(OC)OC
InChIInChI=1S/2C6H15O3PS2/c2*1-4-12-6-5-9-10(11,7-2)8-3/h2*4-6H2,1-3H3
InChIKeyZGHQSBHMTDKNBG-UHFFFAOYSA-N
XLogP4.55
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane (CID 23447081) is 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane is CCSCCOP(=S)(OC)OC.CCSCCOP(=S)(OC)OC.
What is the InChIKey of 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane?
The InChIKey is ZGHQSBHMTDKNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H15O3PS2/c2*1-4-12-6-5-9-10(11,7-2)8-3/h2*4-6H2,1-3H3.
What are the key properties of 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane?
2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane has a molecular weight of 460.58 g/mol, XLogP of 4.55, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23447081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).