diethoxy-bis(sulfanyl)phosphanium

C4H12O2PS2+ — CID 6327246

IUPACdiethoxy-bis(sulfanyl)phosphanium
SMILESCCO[P+](S)(S)OCC
InChIInChI=1S/C4H12O2PS2/c1-3-5-7(8,9)6-4-2/h8-9H,3-4H2,1-2H3/q+1
InChIKeyORURQMOMSKAQNS-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.60
Rot. Bonds4

About diethoxy-bis(sulfanyl)phosphanium

diethoxy-bis(sulfanyl)phosphanium (PubChem CID 6327246) has the molecular formula C4H12O2PS2+ and a molecular weight of 187.25 g/mol. Its IUPAC name is diethoxy-bis(sulfanyl)phosphanium.

Molecular Properties

Compound Namediethoxy-bis(sulfanyl)phosphanium
PubChem CID6327246
Molecular FormulaC4H12O2PS2+
Molecular Weight187.25 g/mol
Exact Mass187.00
IUPAC Namediethoxy-bis(sulfanyl)phosphanium
SMILESCCO[P+](S)(S)OCC
InChIInChI=1S/C4H12O2PS2/c1-3-5-7(8,9)6-4-2/h8-9H,3-4H2,1-2H3/q+1
InChIKeyORURQMOMSKAQNS-UHFFFAOYSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-bis(sulfanyl)phosphanium?
The IUPAC name of diethoxy-bis(sulfanyl)phosphanium (CID 6327246) is diethoxy-bis(sulfanyl)phosphanium.
What is the SMILES notation for diethoxy-bis(sulfanyl)phosphanium?
The canonical SMILES for diethoxy-bis(sulfanyl)phosphanium is CCO[P+](S)(S)OCC.
What is the InChIKey of diethoxy-bis(sulfanyl)phosphanium?
The InChIKey is ORURQMOMSKAQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2PS2/c1-3-5-7(8,9)6-4-2/h8-9H,3-4H2,1-2H3/q+1.
What are the key properties of diethoxy-bis(sulfanyl)phosphanium?
diethoxy-bis(sulfanyl)phosphanium has a molecular weight of 187.25 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-bis(sulfanyl)phosphanium is sourced from PubChem (CID 6327246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).