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

C2H8O4P2S2 — CID 87476601

IUPAChydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCP(O)(=S)OOP(C)(O)=S
InChIInChI=1S/C2H8O4P2S2/c1-7(3,9)5-6-8(2,4)10/h1-2H3,(H,3,9)(H,4,10)
InChIKeyCUALYYCHCVVDHP-UHFFFAOYSA-N
MW222.16 g/mol
LogP0.80
Rot. Bonds3

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

hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane (PubChem CID 87476601) has the molecular formula C2H8O4P2S2 and a molecular weight of 222.16 g/mol. Its IUPAC name is hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane
PubChem CID87476601
Molecular FormulaC2H8O4P2S2
Molecular Weight222.16 g/mol
Exact Mass221.93
IUPAC Namehydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCP(O)(=S)OOP(C)(O)=S
InChIInChI=1S/C2H8O4P2S2/c1-7(3,9)5-6-8(2,4)10/h1-2H3,(H,3,9)(H,4,10)
InChIKeyCUALYYCHCVVDHP-UHFFFAOYSA-N
XLogP0.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane
CID 87476531
dihydroxy-methyl-methylidene-λ5-phosphane
CID 18339287
tert-butyl-[tert-butyl(hydroxy)phosphinothioyl]peroxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87476242
2,2-dimethylpropoxy-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 59024930
azane;dihydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 174843642
ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 12608714
hydroxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 158776888
ethoxy-hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-sulfanylidene-λ5-phosphane
CID 118426700
ethane;methane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175324813
dimethylphosphinic acid;hydroxy-dimethyl-sulfanylidene-λ5-phosphane;methane;methylphosphonic acid
CID 159434045
aminophosphonic acid;dihydroxy-methyl-sulfanylidene-λ5-phosphane
CID 90199354
methane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173442246

Frequently Asked Questions

What is the IUPAC name of hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane (CID 87476601) is hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane is CP(O)(=S)OOP(C)(O)=S.
What is the InChIKey of hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is CUALYYCHCVVDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O4P2S2/c1-7(3,9)5-6-8(2,4)10/h1-2H3,(H,3,9)(H,4,10).
What are the key properties of hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane?
hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 222.16 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87476601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).