2-dihydroxyphosphanylsulfanylacetic acid

C2H5O4PS — CID 89179958

IUPAC2-dihydroxyphosphanylsulfanylacetic acid
SMILESO=C(O)CSP(O)O
InChIInChI=1S/C2H5O4PS/c3-2(4)1-8-7(5)6/h5-6H,1H2,(H,3,4)
InChIKeyGLEVIKPDFXQGDE-UHFFFAOYSA-N
MW156.10 g/mol
LogP0.02
Rot. Bonds3

About 2-dihydroxyphosphanylsulfanylacetic acid

2-dihydroxyphosphanylsulfanylacetic acid (PubChem CID 89179958) has the molecular formula C2H5O4PS and a molecular weight of 156.10 g/mol. Its IUPAC name is 2-dihydroxyphosphanylsulfanylacetic acid.

Molecular Properties

Compound Name2-dihydroxyphosphanylsulfanylacetic acid
PubChem CID89179958
Molecular FormulaC2H5O4PS
Molecular Weight156.10 g/mol
Exact Mass155.96
IUPAC Name2-dihydroxyphosphanylsulfanylacetic acid
SMILESO=C(O)CSP(O)O
InChIInChI=1S/C2H5O4PS/c3-2(4)1-8-7(5)6/h5-6H,1H2,(H,3,4)
InChIKeyGLEVIKPDFXQGDE-UHFFFAOYSA-N
XLogP0.02
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 50.02
H-Bond Donors ≤ 53
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 2-dihydroxyphosphanylsulfanylacetic acid?
The IUPAC name of 2-dihydroxyphosphanylsulfanylacetic acid (CID 89179958) is 2-dihydroxyphosphanylsulfanylacetic acid.
What is the SMILES notation for 2-dihydroxyphosphanylsulfanylacetic acid?
The canonical SMILES for 2-dihydroxyphosphanylsulfanylacetic acid is O=C(O)CSP(O)O.
What is the InChIKey of 2-dihydroxyphosphanylsulfanylacetic acid?
The InChIKey is GLEVIKPDFXQGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O4PS/c3-2(4)1-8-7(5)6/h5-6H,1H2,(H,3,4).
What are the key properties of 2-dihydroxyphosphanylsulfanylacetic acid?
2-dihydroxyphosphanylsulfanylacetic acid has a molecular weight of 156.10 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dihydroxyphosphanylsulfanylacetic acid is sourced from PubChem (CID 89179958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).