methylsulfanyl-methylsulfanyloxy-oxophosphanium

C2H6O2PS2+ — CID 174799937

IUPACmethylsulfanyl-methylsulfanyloxy-oxophosphanium
SMILESCSO[P+](=O)SC
InChIInChI=1S/C2H6O2PS2/c1-6-4-5(3)7-2/h1-2H3/q+1
InChIKeyXGISKFKEGVCUFY-UHFFFAOYSA-N
MW157.18 g/mol
LogP2.30
Rot. Bonds3

About methylsulfanyl-methylsulfanyloxy-oxophosphanium

methylsulfanyl-methylsulfanyloxy-oxophosphanium (PubChem CID 174799937) has the molecular formula C2H6O2PS2+ and a molecular weight of 157.18 g/mol. Its IUPAC name is methylsulfanyl-methylsulfanyloxy-oxophosphanium.

Molecular Properties

Compound Namemethylsulfanyl-methylsulfanyloxy-oxophosphanium
PubChem CID174799937
Molecular FormulaC2H6O2PS2+
Molecular Weight157.18 g/mol
Exact Mass156.95
IUPAC Namemethylsulfanyl-methylsulfanyloxy-oxophosphanium
SMILESCSO[P+](=O)SC
InChIInChI=1S/C2H6O2PS2/c1-6-4-5(3)7-2/h1-2H3/q+1
InChIKeyXGISKFKEGVCUFY-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

bis(methylsulfanyloxy)-oxophosphanium
CID 88668783
fluoro-methylsulfanyl-oxophosphanium
CID 21449244
CID 102374318
CID 102374318
2-methylsulfanylethyl-oxido-oxophosphanium
CID 138692945
ethylsulfanyloxy-hydroxy-oxophosphanium
CID 90042478
chloro-[(2-methylpropan-2-yl)oxysulfanyl]-oxophosphanium
CID 23431625
CID 57417658
CID 57417658
fluoro-fluorooxy-oxophosphanium
CID 175159271
hydroperoxy-methyl-oxophosphanium
CID 18335943
dimethoxymethyl-hydroxy-oxophosphanium
CID 12601980
chloro-ethyl-oxophosphanium
CID 12513101
dimethoxy(oxo)phosphanium;hydron
CID 174585571

Frequently Asked Questions

What is the IUPAC name of methylsulfanyl-methylsulfanyloxy-oxophosphanium?
The IUPAC name of methylsulfanyl-methylsulfanyloxy-oxophosphanium (CID 174799937) is methylsulfanyl-methylsulfanyloxy-oxophosphanium.
What is the SMILES notation for methylsulfanyl-methylsulfanyloxy-oxophosphanium?
The canonical SMILES for methylsulfanyl-methylsulfanyloxy-oxophosphanium is CSO[P+](=O)SC.
What is the InChIKey of methylsulfanyl-methylsulfanyloxy-oxophosphanium?
The InChIKey is XGISKFKEGVCUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2PS2/c1-6-4-5(3)7-2/h1-2H3/q+1.
What are the key properties of methylsulfanyl-methylsulfanyloxy-oxophosphanium?
methylsulfanyl-methylsulfanyloxy-oxophosphanium has a molecular weight of 157.18 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl-methylsulfanyloxy-oxophosphanium is sourced from PubChem (CID 174799937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).