ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride

C6H16ClO4PS — CID 88697617

IUPACethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride
SMILESCCOCCSP(=O)(O)OCC.Cl
InChIInChI=1S/C6H15O4PS.ClH/c1-3-9-5-6-12-11(7,8)10-4-2;/h3-6H2,1-2H3,(H,7,8);1H
InChIKeyYXFIZLNQUHSHFL-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.31
Rot. Bonds7

About ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride

ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride (PubChem CID 88697617) has the molecular formula C6H16ClO4PS and a molecular weight of 250.68 g/mol. Its IUPAC name is ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride.

Molecular Properties

Compound Nameethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride
PubChem CID88697617
Molecular FormulaC6H16ClO4PS
Molecular Weight250.68 g/mol
Exact Mass250.02
IUPAC Nameethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride
SMILESCCOCCSP(=O)(O)OCC.Cl
InChIInChI=1S/C6H15O4PS.ClH/c1-3-9-5-6-12-11(7,8)10-4-2;/h3-6H2,1-2H3,(H,7,8);1H
InChIKeyYXFIZLNQUHSHFL-UHFFFAOYSA-N
XLogP2.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

chlorosulfanyl(ethoxy)phosphinic acid
CID 174460184
butoxy(octylsulfanyl)phosphinic acid;zinc
CID 175444603
CID 88829017
CID 88829017
2-ethoxyethyl diethyl phosphate
CID 3052884
1-chloro-2-ethoxyethane;phosphono dihydrogen phosphate
CID 175312423
1-ethoxy-2-[2-[2-[2-(2-ethoxyethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]ethane
CID 5171446
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
ethoxy-[4-(3-ethoxypropylamino)butyl]phosphinic acid
CID 155661193
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541

Frequently Asked Questions

What is the IUPAC name of ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride?
The IUPAC name of ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride (CID 88697617) is ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride.
What is the SMILES notation for ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride?
The canonical SMILES for ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride is CCOCCSP(=O)(O)OCC.Cl.
What is the InChIKey of ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride?
The InChIKey is YXFIZLNQUHSHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4PS.ClH/c1-3-9-5-6-12-11(7,8)10-4-2;/h3-6H2,1-2H3,(H,7,8);1H.
What are the key properties of ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride?
ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride has a molecular weight of 250.68 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride is sourced from PubChem (CID 88697617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).