hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate

CH4O5P2S-2 — CID 164687409

IUPAChydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate
SMILESO=P([O-])(O)CP([O-])(O)=S
InChIInChI=1S/CH6O5P2S/c2-7(3,4)1-8(5,6)9/h1H2,(H2,2,3,4)(H2,5,6,9)/p-2
InChIKeyZYRFWEADFIRKKP-UHFFFAOYSA-L
MW190.05 g/mol
LogP-1.85
Rot. Bonds2

About hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate

hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate (PubChem CID 164687409) has the molecular formula CH4O5P2S-2 and a molecular weight of 190.05 g/mol. Its IUPAC name is hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate
PubChem CID164687409
Molecular FormulaCH4O5P2S-2
Molecular Weight190.05 g/mol
Exact Mass189.93
IUPAC Namehydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate
SMILESO=P([O-])(O)CP([O-])(O)=S
InChIInChI=1S/CH6O5P2S/c2-7(3,4)1-8(5,6)9/h1H2,(H2,2,3,4)(H2,5,6,9)/p-2
InChIKeyZYRFWEADFIRKKP-UHFFFAOYSA-L
XLogP-1.85
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.05
LogP ≤ 5-1.85
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 hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate?
The IUPAC name of hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate (CID 164687409) is hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate.
What is the SMILES notation for hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate?
The canonical SMILES for hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate is O=P([O-])(O)CP([O-])(O)=S.
What is the InChIKey of hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate?
The InChIKey is ZYRFWEADFIRKKP-UHFFFAOYSA-L. The full InChI is InChI=1S/CH6O5P2S/c2-7(3,4)1-8(5,6)9/h1H2,(H2,2,3,4)(H2,5,6,9)/p-2.
What are the key properties of hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate?
hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate has a molecular weight of 190.05 g/mol, XLogP of -1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[[hydroxy(oxido)phosphinothioyl]methyl]phosphinate is sourced from PubChem (CID 164687409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).