hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane

C2H8O3P2S2 — CID 87476531

IUPAChydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane
SMILESCP(O)(=S)OP(C)(O)=S
InChIInChI=1S/C2H8O3P2S2/c1-6(3,8)5-7(2,4)9/h1-2H3,(H,3,8)(H,4,9)
InChIKeyRJLIVSXJJVNTET-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.87
Rot. Bonds2

About hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane

hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane (PubChem CID 87476531) has the molecular formula C2H8O3P2S2 and a molecular weight of 206.17 g/mol. Its IUPAC name is hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane
PubChem CID87476531
Molecular FormulaC2H8O3P2S2
Molecular Weight206.17 g/mol
Exact Mass205.94
IUPAC Namehydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane
SMILESCP(O)(=S)OP(C)(O)=S
InChIInChI=1S/C2H8O3P2S2/c1-6(3,8)5-7(2,4)9/h1-2H3,(H,3,8)(H,4,9)
InChIKeyRJLIVSXJJVNTET-UHFFFAOYSA-N
XLogP0.87
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane (CID 87476531) is hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane is CP(O)(=S)OP(C)(O)=S.
What is the InChIKey of hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is RJLIVSXJJVNTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O3P2S2/c1-6(3,8)5-7(2,4)9/h1-2H3,(H,3,8)(H,4,9).
What are the key properties of hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane?
hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 206.17 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87476531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).