ethenyl-dihydroxy-sulfanylidene-λ5-phosphane

C2H5O2PS — CID 54284161

IUPACethenyl-dihydroxy-sulfanylidene-λ5-phosphane
SMILESC=CP(O)(O)=S
InChIInChI=1S/C2H5O2PS/c1-2-5(3,4)6/h2H,1H2,(H2,3,4,6)
InChIKeyRSXPIJKXIOZTFO-UHFFFAOYSA-N
MW124.10 g/mol
LogP0.42
Rot. Bonds1

About ethenyl-dihydroxy-sulfanylidene-λ5-phosphane

ethenyl-dihydroxy-sulfanylidene-λ5-phosphane (PubChem CID 54284161) has the molecular formula C2H5O2PS and a molecular weight of 124.10 g/mol. Its IUPAC name is ethenyl-dihydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethenyl-dihydroxy-sulfanylidene-λ5-phosphane
PubChem CID54284161
Molecular FormulaC2H5O2PS
Molecular Weight124.10 g/mol
Exact Mass123.97
IUPAC Nameethenyl-dihydroxy-sulfanylidene-λ5-phosphane
SMILESC=CP(O)(O)=S
InChIInChI=1S/C2H5O2PS/c1-2-5(3,4)6/h2H,1H2,(H2,3,4,6)
InChIKeyRSXPIJKXIOZTFO-UHFFFAOYSA-N
XLogP0.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.10
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl-dihydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of ethenyl-dihydroxy-sulfanylidene-λ5-phosphane (CID 54284161) is ethenyl-dihydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethenyl-dihydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethenyl-dihydroxy-sulfanylidene-λ5-phosphane is C=CP(O)(O)=S.
What is the InChIKey of ethenyl-dihydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is RSXPIJKXIOZTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2PS/c1-2-5(3,4)6/h2H,1H2,(H2,3,4,6).
What are the key properties of ethenyl-dihydroxy-sulfanylidene-λ5-phosphane?
ethenyl-dihydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 124.10 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-dihydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54284161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).