ethane;oxo-propylsulfanyl-sulfanylphosphanium

C5H14OPS2+ — CID 88648100

IUPACethane;oxo-propylsulfanyl-sulfanylphosphanium
SMILESCC.CCCS[P+](=O)S
InChIInChI=1S/C3H7OPS2.C2H6/c1-2-3-7-5(4)6;1-2/h2-3H2,1H3;1-2H3/p+1
InChIKeyYJJUTFFOHFPLQE-UHFFFAOYSA-O
MW185.27 g/mol
LogP3.74
Rot. Bonds3

About ethane;oxo-propylsulfanyl-sulfanylphosphanium

ethane;oxo-propylsulfanyl-sulfanylphosphanium (PubChem CID 88648100) has the molecular formula C5H14OPS2+ and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;oxo-propylsulfanyl-sulfanylphosphanium.

Molecular Properties

Compound Nameethane;oxo-propylsulfanyl-sulfanylphosphanium
PubChem CID88648100
Molecular FormulaC5H14OPS2+
Molecular Weight185.27 g/mol
Exact Mass185.02
IUPAC Nameethane;oxo-propylsulfanyl-sulfanylphosphanium
SMILESCC.CCCS[P+](=O)S
InChIInChI=1S/C3H7OPS2.C2H6/c1-2-3-7-5(4)6;1-2/h2-3H2,1H3;1-2H3/p+1
InChIKeyYJJUTFFOHFPLQE-UHFFFAOYSA-O
XLogP3.74
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.74
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'}

Analyze ethane;oxo-propylsulfanyl-sulfanylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;oxo-propylsulfanyl-sulfanylphosphanium?
The IUPAC name of ethane;oxo-propylsulfanyl-sulfanylphosphanium (CID 88648100) is ethane;oxo-propylsulfanyl-sulfanylphosphanium.
What is the SMILES notation for ethane;oxo-propylsulfanyl-sulfanylphosphanium?
The canonical SMILES for ethane;oxo-propylsulfanyl-sulfanylphosphanium is CC.CCCS[P+](=O)S.
What is the InChIKey of ethane;oxo-propylsulfanyl-sulfanylphosphanium?
The InChIKey is YJJUTFFOHFPLQE-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7OPS2.C2H6/c1-2-3-7-5(4)6;1-2/h2-3H2,1H3;1-2H3/p+1.
What are the key properties of ethane;oxo-propylsulfanyl-sulfanylphosphanium?
ethane;oxo-propylsulfanyl-sulfanylphosphanium has a molecular weight of 185.27 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;oxo-propylsulfanyl-sulfanylphosphanium is sourced from PubChem (CID 88648100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).