diethoxyphosphinothioylsulfanium

C4H12O2PS2+ — CID 135012777

IUPACdiethoxyphosphinothioylsulfanium
SMILESCCOP(=S)([SH2+])OCC
InChIInChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)/p+1
InChIKeyIRDLUHRVLVEUHA-UHFFFAOYSA-O
MW187.25 g/mol
LogP1.30
Rot. Bonds4

About diethoxyphosphinothioylsulfanium

diethoxyphosphinothioylsulfanium (PubChem CID 135012777) has the molecular formula C4H12O2PS2+ and a molecular weight of 187.25 g/mol. Its IUPAC name is diethoxyphosphinothioylsulfanium.

Molecular Properties

Compound Namediethoxyphosphinothioylsulfanium
PubChem CID135012777
Molecular FormulaC4H12O2PS2+
Molecular Weight187.25 g/mol
Exact Mass187.00
IUPAC Namediethoxyphosphinothioylsulfanium
SMILESCCOP(=S)([SH2+])OCC
InChIInChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)/p+1
InChIKeyIRDLUHRVLVEUHA-UHFFFAOYSA-O
XLogP1.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphinothioylsulfanium?
The IUPAC name of diethoxyphosphinothioylsulfanium (CID 135012777) is diethoxyphosphinothioylsulfanium.
What is the SMILES notation for diethoxyphosphinothioylsulfanium?
The canonical SMILES for diethoxyphosphinothioylsulfanium is CCOP(=S)([SH2+])OCC.
What is the InChIKey of diethoxyphosphinothioylsulfanium?
The InChIKey is IRDLUHRVLVEUHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)/p+1.
What are the key properties of diethoxyphosphinothioylsulfanium?
diethoxyphosphinothioylsulfanium has a molecular weight of 187.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphinothioylsulfanium is sourced from PubChem (CID 135012777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).