aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane

CH9NO5P2S — CID 90199354

IUPACaminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCP(O)(O)=S.NP(=O)(O)O
InChIInChI=1S/CH5O2PS.H4NO3P/c1-4(2,3)5;1-5(2,3)4/h1H3,(H2,2,3,5);(H4,1,2,3,4)
InChIKeyXFUZDOQUZQRRIV-UHFFFAOYSA-N
MW209.10 g/mol
LogP-1.05
Rot. Bonds

About aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane

aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane (PubChem CID 90199354) has the molecular formula CH9NO5P2S and a molecular weight of 209.10 g/mol. Its IUPAC name is aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameaminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane
PubChem CID90199354
Molecular FormulaCH9NO5P2S
Molecular Weight209.10 g/mol
Exact Mass208.97
IUPAC Nameaminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCP(O)(O)=S.NP(=O)(O)O
InChIInChI=1S/CH5O2PS.H4NO3P/c1-4(2,3)5;1-5(2,3)4/h1H3,(H2,2,3,5);(H4,1,2,3,4)
InChIKeyXFUZDOQUZQRRIV-UHFFFAOYSA-N
XLogP-1.05
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 5-1.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

aminophosphonic acid;methylphosphonic acid
CID 87311898
aminophosphonic acid;rhenium
CID 174387588
dimethylphosphinic acid;hydroxy-dimethyl-sulfanylidene-λ5-phosphane;methane;methylphosphonic acid
CID 159434045
amino(dimethylamino)phosphinic acid
CID 14226794
aminophosphonic acid;dihydroxy(oxo)phosphanium;dihydroxy-sulfanyl-sulfanylidene-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane
CID 159189351
methylphosphonic acid;dihydrochloride
CID 87344491
dimethylphosphinic acid;ethene
CID 159258868
bis(dimethylphosphinic acid);platinum
CID 58918492
CID 162132831
CID 162132831
methanamine;phosphoric acid
CID 173433743
methylphosphonic acid;uranium
CID 174844261
aminooxyphosphonamidic acid
CID 22629890

Frequently Asked Questions

What is the IUPAC name of aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane (CID 90199354) is aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane is CP(O)(O)=S.NP(=O)(O)O.
What is the InChIKey of aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is XFUZDOQUZQRRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5O2PS.H4NO3P/c1-4(2,3)5;1-5(2,3)4/h1H3,(H2,2,3,5);(H4,1,2,3,4).
What are the key properties of aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane?
aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 209.10 g/mol, XLogP of -1.05, 0 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 90199354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).