2-methylsulfanylethyl-oxido-oxophosphanium

C3H7O2PS — CID 138692945

IUPAC2-methylsulfanylethyl-oxido-oxophosphanium
SMILESCSCC[P+](=O)[O-]
InChIInChI=1S/C3H7O2PS/c1-7-3-2-6(4)5/h2-3H2,1H3
InChIKeyMTDYBFGRFKTDHL-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.45
Rot. Bonds3

About 2-methylsulfanylethyl-oxido-oxophosphanium

2-methylsulfanylethyl-oxido-oxophosphanium (PubChem CID 138692945) has the molecular formula C3H7O2PS and a molecular weight of 138.13 g/mol. Its IUPAC name is 2-methylsulfanylethyl-oxido-oxophosphanium.

Molecular Properties

Compound Name2-methylsulfanylethyl-oxido-oxophosphanium
PubChem CID138692945
Molecular FormulaC3H7O2PS
Molecular Weight138.13 g/mol
Exact Mass137.99
IUPAC Name2-methylsulfanylethyl-oxido-oxophosphanium
SMILESCSCC[P+](=O)[O-]
InChIInChI=1S/C3H7O2PS/c1-7-3-2-6(4)5/h2-3H2,1H3
InChIKeyMTDYBFGRFKTDHL-UHFFFAOYSA-N
XLogP0.45
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

aluminum tris(ethyl-oxido-oxophosphanium)
CID 157497203
cobalt(2+);bis(octadecyl-oxido-oxophosphanium)
CID 140747211
bis(heptyl-oxido-oxophosphanium);iron(2+)
CID 87602335
sodium oxido-oxo-(5-oxohexyl)phosphanium
CID 23707633
disodium;3-phosphopropanoate
CID 21232047
dilithium bis(ethylsulfanyl-oxido-oxophosphanium)
CID 57351004
CID 58608466
CID 58608466
sodium 4-methylsulfanyl-2-oxobutan-1-olate
CID 87390153
2-methylsulfanylethyl sulfite
CID 118684475
1-methylsulfanyl-2-nitrososulfanylethane
CID 142320697
2-methylsulfanylethylcyclopropane
CID 23403340
potassium 2-methylsulfanylethanethiolate
CID 101442184

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylethyl-oxido-oxophosphanium?
The IUPAC name of 2-methylsulfanylethyl-oxido-oxophosphanium (CID 138692945) is 2-methylsulfanylethyl-oxido-oxophosphanium.
What is the SMILES notation for 2-methylsulfanylethyl-oxido-oxophosphanium?
The canonical SMILES for 2-methylsulfanylethyl-oxido-oxophosphanium is CSCC[P+](=O)[O-].
What is the InChIKey of 2-methylsulfanylethyl-oxido-oxophosphanium?
The InChIKey is MTDYBFGRFKTDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2PS/c1-7-3-2-6(4)5/h2-3H2,1H3.
What are the key properties of 2-methylsulfanylethyl-oxido-oxophosphanium?
2-methylsulfanylethyl-oxido-oxophosphanium has a molecular weight of 138.13 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylethyl-oxido-oxophosphanium is sourced from PubChem (CID 138692945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).