oxo-propylsulfanyl-sulfanylphosphanium

C3H8OPS2+ — CID 88648101

IUPACoxo-propylsulfanyl-sulfanylphosphanium
SMILESCCCS[P+](=O)S
InChIInChI=1S/C3H7OPS2/c1-2-3-7-5(4)6/h2-3H2,1H3/p+1
InChIKeyHARJCIASZWKTDZ-UHFFFAOYSA-O
MW155.20 g/mol
LogP2.72
Rot. Bonds3

About oxo-propylsulfanyl-sulfanylphosphanium

oxo-propylsulfanyl-sulfanylphosphanium (PubChem CID 88648101) has the molecular formula C3H8OPS2+ and a molecular weight of 155.20 g/mol. Its IUPAC name is oxo-propylsulfanyl-sulfanylphosphanium.

Molecular Properties

Compound Nameoxo-propylsulfanyl-sulfanylphosphanium
PubChem CID88648101
Molecular FormulaC3H8OPS2+
Molecular Weight155.20 g/mol
Exact Mass154.97
IUPAC Nameoxo-propylsulfanyl-sulfanylphosphanium
SMILESCCCS[P+](=O)S
InChIInChI=1S/C3H7OPS2/c1-2-3-7-5(4)6/h2-3H2,1H3/p+1
InChIKeyHARJCIASZWKTDZ-UHFFFAOYSA-O
XLogP2.72
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 oxo-propylsulfanyl-sulfanylphosphanium?
The IUPAC name of oxo-propylsulfanyl-sulfanylphosphanium (CID 88648101) is oxo-propylsulfanyl-sulfanylphosphanium.
What is the SMILES notation for oxo-propylsulfanyl-sulfanylphosphanium?
The canonical SMILES for oxo-propylsulfanyl-sulfanylphosphanium is CCCS[P+](=O)S.
What is the InChIKey of oxo-propylsulfanyl-sulfanylphosphanium?
The InChIKey is HARJCIASZWKTDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7OPS2/c1-2-3-7-5(4)6/h2-3H2,1H3/p+1.
What are the key properties of oxo-propylsulfanyl-sulfanylphosphanium?
oxo-propylsulfanyl-sulfanylphosphanium has a molecular weight of 155.20 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-propylsulfanyl-sulfanylphosphanium is sourced from PubChem (CID 88648101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).