ethylsulfanyloxy-hydroxy-oxophosphanium

C2H6O3PS+ — CID 90042478

IUPACethylsulfanyloxy-hydroxy-oxophosphanium
SMILESCCSO[P+](=O)O
InChIInChI=1S/C2H5O3PS/c1-2-7-5-6(3)4/h2H2,1H3/p+1
InChIKeyRKGLOEAXGBFKKV-UHFFFAOYSA-O
MW141.11 g/mol
LogP1.32
Rot. Bonds3

About ethylsulfanyloxy-hydroxy-oxophosphanium

ethylsulfanyloxy-hydroxy-oxophosphanium (PubChem CID 90042478) has the molecular formula C2H6O3PS+ and a molecular weight of 141.11 g/mol. Its IUPAC name is ethylsulfanyloxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Nameethylsulfanyloxy-hydroxy-oxophosphanium
PubChem CID90042478
Molecular FormulaC2H6O3PS+
Molecular Weight141.11 g/mol
Exact Mass140.98
IUPAC Nameethylsulfanyloxy-hydroxy-oxophosphanium
SMILESCCSO[P+](=O)O
InChIInChI=1S/C2H5O3PS/c1-2-7-5-6(3)4/h2H2,1H3/p+1
InChIKeyRKGLOEAXGBFKKV-UHFFFAOYSA-O
XLogP1.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanyloxy-hydroxy-oxophosphanium?
The IUPAC name of ethylsulfanyloxy-hydroxy-oxophosphanium (CID 90042478) is ethylsulfanyloxy-hydroxy-oxophosphanium.
What is the SMILES notation for ethylsulfanyloxy-hydroxy-oxophosphanium?
The canonical SMILES for ethylsulfanyloxy-hydroxy-oxophosphanium is CCSO[P+](=O)O.
What is the InChIKey of ethylsulfanyloxy-hydroxy-oxophosphanium?
The InChIKey is RKGLOEAXGBFKKV-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H5O3PS/c1-2-7-5-6(3)4/h2H2,1H3/p+1.
What are the key properties of ethylsulfanyloxy-hydroxy-oxophosphanium?
ethylsulfanyloxy-hydroxy-oxophosphanium has a molecular weight of 141.11 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanyloxy-hydroxy-oxophosphanium is sourced from PubChem (CID 90042478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).