ethoxy-ethylsulfanyl-sulfanylidenephosphanium

C4H10OPS2+ — CID 57349655

IUPACethoxy-ethylsulfanyl-sulfanylidenephosphanium
SMILESCCO[P+](=S)SCC
InChIInChI=1S/C4H10OPS2/c1-3-5-6(7)8-4-2/h3-4H2,1-2H3/q+1
InChIKeyNLYMFOGAOUVXCJ-UHFFFAOYSA-N
MW169.23 g/mol
LogP2.55
Rot. Bonds4

About ethoxy-ethylsulfanyl-sulfanylidenephosphanium

ethoxy-ethylsulfanyl-sulfanylidenephosphanium (PubChem CID 57349655) has the molecular formula C4H10OPS2+ and a molecular weight of 169.23 g/mol. Its IUPAC name is ethoxy-ethylsulfanyl-sulfanylidenephosphanium.

Molecular Properties

Compound Nameethoxy-ethylsulfanyl-sulfanylidenephosphanium
PubChem CID57349655
Molecular FormulaC4H10OPS2+
Molecular Weight169.23 g/mol
Exact Mass168.99
IUPAC Nameethoxy-ethylsulfanyl-sulfanylidenephosphanium
SMILESCCO[P+](=S)SCC
InChIInChI=1S/C4H10OPS2/c1-3-5-6(7)8-4-2/h3-4H2,1-2H3/q+1
InChIKeyNLYMFOGAOUVXCJ-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 52.55
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-ethylsulfanyl-sulfanylidenephosphanium?
The IUPAC name of ethoxy-ethylsulfanyl-sulfanylidenephosphanium (CID 57349655) is ethoxy-ethylsulfanyl-sulfanylidenephosphanium.
What is the SMILES notation for ethoxy-ethylsulfanyl-sulfanylidenephosphanium?
The canonical SMILES for ethoxy-ethylsulfanyl-sulfanylidenephosphanium is CCO[P+](=S)SCC.
What is the InChIKey of ethoxy-ethylsulfanyl-sulfanylidenephosphanium?
The InChIKey is NLYMFOGAOUVXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OPS2/c1-3-5-6(7)8-4-2/h3-4H2,1-2H3/q+1.
What are the key properties of ethoxy-ethylsulfanyl-sulfanylidenephosphanium?
ethoxy-ethylsulfanyl-sulfanylidenephosphanium has a molecular weight of 169.23 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-ethylsulfanyl-sulfanylidenephosphanium is sourced from PubChem (CID 57349655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).