dihydroxy-methoxy-methylsulfanylphosphanium

C2H8O3PS+ — CID 129026962

IUPACdihydroxy-methoxy-methylsulfanylphosphanium
SMILESCO[P+](O)(O)SC
InChIInChI=1S/C2H8O3PS/c1-5-6(3,4)7-2/h3-4H,1-2H3/q+1
InChIKeyDMMJFHHGBQWWLA-UHFFFAOYSA-N
MW143.12 g/mol
LogP0.66
Rot. Bonds2

About dihydroxy-methoxy-methylsulfanylphosphanium

dihydroxy-methoxy-methylsulfanylphosphanium (PubChem CID 129026962) has the molecular formula C2H8O3PS+ and a molecular weight of 143.12 g/mol. Its IUPAC name is dihydroxy-methoxy-methylsulfanylphosphanium.

Molecular Properties

Compound Namedihydroxy-methoxy-methylsulfanylphosphanium
PubChem CID129026962
Molecular FormulaC2H8O3PS+
Molecular Weight143.12 g/mol
Exact Mass142.99
IUPAC Namedihydroxy-methoxy-methylsulfanylphosphanium
SMILESCO[P+](O)(O)SC
InChIInChI=1S/C2H8O3PS/c1-5-6(3,4)7-2/h3-4H,1-2H3/q+1
InChIKeyDMMJFHHGBQWWLA-UHFFFAOYSA-N
XLogP0.66
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.12
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-methoxy-methylsulfanylphosphanium?
The IUPAC name of dihydroxy-methoxy-methylsulfanylphosphanium (CID 129026962) is dihydroxy-methoxy-methylsulfanylphosphanium.
What is the SMILES notation for dihydroxy-methoxy-methylsulfanylphosphanium?
The canonical SMILES for dihydroxy-methoxy-methylsulfanylphosphanium is CO[P+](O)(O)SC.
What is the InChIKey of dihydroxy-methoxy-methylsulfanylphosphanium?
The InChIKey is DMMJFHHGBQWWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O3PS/c1-5-6(3,4)7-2/h3-4H,1-2H3/q+1.
What are the key properties of dihydroxy-methoxy-methylsulfanylphosphanium?
dihydroxy-methoxy-methylsulfanylphosphanium has a molecular weight of 143.12 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-methylsulfanylphosphanium is sourced from PubChem (CID 129026962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).