2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol

C5H13O4PS2 — CID 174750342

IUPAC2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol
SMILESCSP(O)(=S)OCCOCCO
InChIInChI=1S/C5H13O4PS2/c1-12-10(7,11)9-5-4-8-3-2-6/h6H,2-5H2,1H3,(H,7,11)
InChIKeyALQFVESQUJDXTF-UHFFFAOYSA-N
MW232.26 g/mol
LogP0.59
Rot. Bonds7

About 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol

2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol (PubChem CID 174750342) has the molecular formula C5H13O4PS2 and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol
PubChem CID174750342
Molecular FormulaC5H13O4PS2
Molecular Weight232.26 g/mol
Exact Mass232.00
IUPAC Name2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol
SMILESCSP(O)(=S)OCCOCCO
InChIInChI=1S/C5H13O4PS2/c1-12-10(7,11)9-5-4-8-3-2-6/h6H,2-5H2,1H3,(H,7,11)
InChIKeyALQFVESQUJDXTF-UHFFFAOYSA-N
XLogP0.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methylphosphonic acid
CID 175378176
dichlorophosphinic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 175359179
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
CID 87626226
tert-butyl 2-[2-[2-[2-[2-[2-[hydroxy(2-hydroxyethoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 165033493
CID 159345993
CID 159345993
2-(2-hydroxyethoxy)ethanol;dihydrate
CID 22572092
ethyl-[2-[3-[3-(2-hydroxyethoxy)propyldisulfanyl]propoxy]ethoxy]phosphinic acid
CID 135219440
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl hypochlorite
CID 174668360

Frequently Asked Questions

What is the IUPAC name of 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol?
The IUPAC name of 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol (CID 174750342) is 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol.
What is the SMILES notation for 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol?
The canonical SMILES for 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol is CSP(O)(=S)OCCOCCO.
What is the InChIKey of 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol?
The InChIKey is ALQFVESQUJDXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4PS2/c1-12-10(7,11)9-5-4-8-3-2-6/h6H,2-5H2,1H3,(H,7,11).
What are the key properties of 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol?
2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol has a molecular weight of 232.26 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[hydroxy(methylsulfanyl)phosphinothioyl]oxyethoxy]ethanol is sourced from PubChem (CID 174750342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).