dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane

C2H9O6P2S-3 — CID 159578466

IUPACdihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane
SMILESC.C=P([O-])(O)O.[O-]P([O-])(O)=S
InChIInChI=1S/CH4O3P.CH4.H3O3PS/c1-5(2,3)4;;1-4(2,3)5/h1H2,(H2-,2,3,4);1H4;(H3,1,2,3,5)/q-1;;/p-2
InChIKeyMIRZIRDXWIDUFD-UHFFFAOYSA-L
MW223.10 g/mol
LogP-2.91
Rot. Bonds

About dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane

dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane (PubChem CID 159578466) has the molecular formula C2H9O6P2S-3 and a molecular weight of 223.10 g/mol. Its IUPAC name is dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane.

Molecular Properties

Compound Namedihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane
PubChem CID159578466
Molecular FormulaC2H9O6P2S-3
Molecular Weight223.10 g/mol
Exact Mass222.96
IUPAC Namedihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane
SMILESC.C=P([O-])(O)O.[O-]P([O-])(O)=S
InChIInChI=1S/CH4O3P.CH4.H3O3PS/c1-5(2,3)4;;1-4(2,3)5/h1H2,(H2-,2,3,4);1H4;(H3,1,2,3,5)/q-1;;/p-2
InChIKeyMIRZIRDXWIDUFD-UHFFFAOYSA-L
XLogP-2.91
TPSA129.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.10
LogP ≤ 5-2.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dihydroxy-methyl-methylidene-λ5-phosphane
CID 18339287
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175324813
dimethylphosphinic acid;hydroxy-dimethyl-sulfanylidene-λ5-phosphane;methane;methylphosphonic acid
CID 159434045
methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173442246
CID 173075577
CID 173075577
CID 173186715
CID 173186715
tetrakis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174914506
ethenyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 54284161
magnesium;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174644502
bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc;dihydrate
CID 175281748
azanide;bis(trihydroxy(sulfanylidene)-λ5-phosphane);zinc
CID 174724597
sodium;hydride;pentakis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175387653

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane?
The IUPAC name of dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane (CID 159578466) is dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane.
What is the SMILES notation for dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane?
The canonical SMILES for dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane is C.C=P([O-])(O)O.[O-]P([O-])(O)=S.
What is the InChIKey of dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane?
The InChIKey is MIRZIRDXWIDUFD-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4O3P.CH4.H3O3PS/c1-5(2,3)4;;1-4(2,3)5/h1H2,(H2-,2,3,4);1H4;(H3,1,2,3,5)/q-1;;/p-2.
What are the key properties of dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane?
dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane has a molecular weight of 223.10 g/mol, XLogP of -2.91, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methylidene-oxido-λ5-phosphane;hydroxy-dioxido-sulfanylidene-λ5-phosphane;methane is sourced from PubChem (CID 159578466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).