bis(methylsulfanyloxy)-oxophosphanium

C2H6O3PS2+ — CID 88668783

IUPACbis(methylsulfanyloxy)-oxophosphanium
SMILESCSO[P+](=O)OSC
InChIInChI=1S/C2H6O3PS2/c1-7-4-6(3)5-8-2/h1-2H3/q+1
InChIKeyBJDKIFNZBRLNDT-UHFFFAOYSA-N
MW173.17 g/mol
LogP2.23
Rot. Bonds4

About bis(methylsulfanyloxy)-oxophosphanium

bis(methylsulfanyloxy)-oxophosphanium (PubChem CID 88668783) has the molecular formula C2H6O3PS2+ and a molecular weight of 173.17 g/mol. Its IUPAC name is bis(methylsulfanyloxy)-oxophosphanium.

Molecular Properties

Compound Namebis(methylsulfanyloxy)-oxophosphanium
PubChem CID88668783
Molecular FormulaC2H6O3PS2+
Molecular Weight173.17 g/mol
Exact Mass172.95
IUPAC Namebis(methylsulfanyloxy)-oxophosphanium
SMILESCSO[P+](=O)OSC
InChIInChI=1S/C2H6O3PS2/c1-7-4-6(3)5-8-2/h1-2H3/q+1
InChIKeyBJDKIFNZBRLNDT-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methylsulfanyl-methylsulfanyloxy-oxophosphanium
CID 174799937
CID 102374318
CID 102374318
ethylsulfanyloxy-hydroxy-oxophosphanium
CID 90042478
fluoro-methylsulfanyl-oxophosphanium
CID 21449244
oxo-bis(2,4,6-trimethylphenoxy)phosphanium
CID 57186315
di(heptan-4-yloxy)-oxophosphanium
CID 57260615
bis(difluoromethoxy)-oxophosphanium
CID 21265767
copper;oxo(diphenoxy)phosphanium
CID 158842365
CID 57417658
CID 57417658
CID 157268042
CID 157268042
fluoro-fluorooxy-oxophosphanium
CID 175159271
hydroperoxy-methyl-oxophosphanium
CID 18335943

Frequently Asked Questions

What is the IUPAC name of bis(methylsulfanyloxy)-oxophosphanium?
The IUPAC name of bis(methylsulfanyloxy)-oxophosphanium (CID 88668783) is bis(methylsulfanyloxy)-oxophosphanium.
What is the SMILES notation for bis(methylsulfanyloxy)-oxophosphanium?
The canonical SMILES for bis(methylsulfanyloxy)-oxophosphanium is CSO[P+](=O)OSC.
What is the InChIKey of bis(methylsulfanyloxy)-oxophosphanium?
The InChIKey is BJDKIFNZBRLNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3PS2/c1-7-4-6(3)5-8-2/h1-2H3/q+1.
What are the key properties of bis(methylsulfanyloxy)-oxophosphanium?
bis(methylsulfanyloxy)-oxophosphanium has a molecular weight of 173.17 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfanyloxy)-oxophosphanium is sourced from PubChem (CID 88668783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).