2-ethylsulfinylethoxy(methyl)phosphinic acid

C5H13O4PS — CID 175986683

IUPAC2-ethylsulfinylethoxy(methyl)phosphinic acid
SMILESCCS(=O)CCOP(C)(=O)O
InChIInChI=1S/C5H13O4PS/c1-3-11(8)5-4-9-10(2,6)7/h3-5H2,1-2H3,(H,6,7)
InChIKeyQBSKTUXSTUAMDP-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.59
Rot. Bonds5

About 2-ethylsulfinylethoxy(methyl)phosphinic acid

2-ethylsulfinylethoxy(methyl)phosphinic acid (PubChem CID 175986683) has the molecular formula C5H13O4PS and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-ethylsulfinylethoxy(methyl)phosphinic acid.

Molecular Properties

Compound Name2-ethylsulfinylethoxy(methyl)phosphinic acid
PubChem CID175986683
Molecular FormulaC5H13O4PS
Molecular Weight200.20 g/mol
Exact Mass200.03
IUPAC Name2-ethylsulfinylethoxy(methyl)phosphinic acid
SMILESCCS(=O)CCOP(C)(=O)O
InChIInChI=1S/C5H13O4PS/c1-3-11(8)5-4-9-10(2,6)7/h3-5H2,1-2H3,(H,6,7)
InChIKeyQBSKTUXSTUAMDP-UHFFFAOYSA-N
XLogP0.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[ethoxy(hydroxy)phosphoryl]oxybutoxy-methylphosphinic acid
CID 58291192
(3-amino-3-oxopropoxy)-methylphosphinic acid
CID 71382288
2-(2,2-dichlorobutylsulfinyl)ethyl methyl hydrogen phosphate
CID 174543321
methyl(6-sulfanylhexoxy)phosphinic acid
CID 59539997
2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate
CID 59267129
5-[hydroxy(methyl)phosphoryl]oxypentanoic acid
CID 139636947
6-aminohexoxy(methyl)phosphinic acid;ethane
CID 166146480
2-(diaminomethylideneamino)ethoxy-methylphosphinic acid
CID 3327890
[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid
CID 20726647
2-[2-[2-[2-[2-[2-[hydroxy-[2-[2-[2-[2-[2-(2-phosphonooxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-methylphosphinic acid
CID 174196734
3-ethylsulfinylpropoxy-hydroxy-oxophosphanium
CID 174846346
methyl 3-ethylsulfinylpropanoate
CID 61303551

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfinylethoxy(methyl)phosphinic acid?
The IUPAC name of 2-ethylsulfinylethoxy(methyl)phosphinic acid (CID 175986683) is 2-ethylsulfinylethoxy(methyl)phosphinic acid.
What is the SMILES notation for 2-ethylsulfinylethoxy(methyl)phosphinic acid?
The canonical SMILES for 2-ethylsulfinylethoxy(methyl)phosphinic acid is CCS(=O)CCOP(C)(=O)O.
What is the InChIKey of 2-ethylsulfinylethoxy(methyl)phosphinic acid?
The InChIKey is QBSKTUXSTUAMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4PS/c1-3-11(8)5-4-9-10(2,6)7/h3-5H2,1-2H3,(H,6,7).
What are the key properties of 2-ethylsulfinylethoxy(methyl)phosphinic acid?
2-ethylsulfinylethoxy(methyl)phosphinic acid has a molecular weight of 200.20 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfinylethoxy(methyl)phosphinic acid is sourced from PubChem (CID 175986683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).