bis(ethoxysulfanyl)-sulfanylidenephosphanium

C4H10O2PS3+ — CID 20560820

IUPACbis(ethoxysulfanyl)-sulfanylidenephosphanium
SMILESCCOS[P+](=S)SOCC
InChIInChI=1S/C4H10O2PS3/c1-3-5-9-7(8)10-6-4-2/h3-4H2,1-2H3/q+1
InChIKeyPJDJOPFEUFBYOZ-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.13
Rot. Bonds6

About bis(ethoxysulfanyl)-sulfanylidenephosphanium

bis(ethoxysulfanyl)-sulfanylidenephosphanium (PubChem CID 20560820) has the molecular formula C4H10O2PS3+ and a molecular weight of 217.30 g/mol. Its IUPAC name is bis(ethoxysulfanyl)-sulfanylidenephosphanium.

Molecular Properties

Compound Namebis(ethoxysulfanyl)-sulfanylidenephosphanium
PubChem CID20560820
Molecular FormulaC4H10O2PS3+
Molecular Weight217.30 g/mol
Exact Mass216.96
IUPAC Namebis(ethoxysulfanyl)-sulfanylidenephosphanium
SMILESCCOS[P+](=S)SOCC
InChIInChI=1S/C4H10O2PS3/c1-3-5-9-7(8)10-6-4-2/h3-4H2,1-2H3/q+1
InChIKeyPJDJOPFEUFBYOZ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

O,O-Diethyl dithiophosphate
CID 9274
Disulfide, dipropoxy
CID 316389
Disulfide, diethoxy
CID 10898917
[(Ethoxysulfanyl)oxy]ethane
CID 13759639
Diethyl dithiophosphate, potassium salt
CID 1385274
Diethyl thiosulfite
CID 90470879
Diethoxyphosphinothioylsulfanium
CID 135012777
Diethoxy-bis(sulfanyl)phosphanium
CID 6327246
(Ethoxytetrasulfanyl)oxyethane
CID 14251697
Disulfanyl(diethoxy)phosphane
CID 15206772
Triethoxysulfanium
CID 19853880
Diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane;sulfane
CID 88231081

Frequently Asked Questions

What is the IUPAC name of bis(ethoxysulfanyl)-sulfanylidenephosphanium?
The IUPAC name of bis(ethoxysulfanyl)-sulfanylidenephosphanium (CID 20560820) is bis(ethoxysulfanyl)-sulfanylidenephosphanium.
What is the SMILES notation for bis(ethoxysulfanyl)-sulfanylidenephosphanium?
The canonical SMILES for bis(ethoxysulfanyl)-sulfanylidenephosphanium is CCOS[P+](=S)SOCC.
What is the InChIKey of bis(ethoxysulfanyl)-sulfanylidenephosphanium?
The InChIKey is PJDJOPFEUFBYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2PS3/c1-3-5-9-7(8)10-6-4-2/h3-4H2,1-2H3/q+1.
What are the key properties of bis(ethoxysulfanyl)-sulfanylidenephosphanium?
bis(ethoxysulfanyl)-sulfanylidenephosphanium has a molecular weight of 217.30 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethoxysulfanyl)-sulfanylidenephosphanium is sourced from PubChem (CID 20560820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).