lithium 2-dichlorophosphanylbenzenesulfonate

C6H4Cl2LiO3PS — CID 167508079

IUPAClithium 2-dichlorophosphanylbenzenesulfonate
SMILESO=S(=O)([O-])c1ccccc1P(Cl)Cl.[Li+]
InChIInChI=1S/C6H5Cl2O3PS.Li/c7-12(8)5-3-1-2-4-6(5)13(9,10)11;/h1-4H,(H,9,10,11);/q;+1/p-1
InChIKeyOPRGUYSUIMCXDI-UHFFFAOYSA-M
MW264.98 g/mol
LogP-0.99
Rot. Bonds2

About lithium 2-dichlorophosphanylbenzenesulfonate

lithium 2-dichlorophosphanylbenzenesulfonate (PubChem CID 167508079) has the molecular formula C6H4Cl2LiO3PS and a molecular weight of 264.98 g/mol. Its IUPAC name is lithium 2-dichlorophosphanylbenzenesulfonate.

Molecular Properties

Compound Namelithium 2-dichlorophosphanylbenzenesulfonate
PubChem CID167508079
Molecular FormulaC6H4Cl2LiO3PS
Molecular Weight264.98 g/mol
Exact Mass263.92
IUPAC Namelithium 2-dichlorophosphanylbenzenesulfonate
SMILESO=S(=O)([O-])c1ccccc1P(Cl)Cl.[Li+]
InChIInChI=1S/C6H5Cl2O3PS.Li/c7-12(8)5-3-1-2-4-6(5)13(9,10)11;/h1-4H,(H,9,10,11);/q;+1/p-1
InChIKeyOPRGUYSUIMCXDI-UHFFFAOYSA-M
XLogP-0.99
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.98
LogP ≤ 5-0.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 2-dichlorophosphanylbenzenesulfonate?
The IUPAC name of lithium 2-dichlorophosphanylbenzenesulfonate (CID 167508079) is lithium 2-dichlorophosphanylbenzenesulfonate.
What is the SMILES notation for lithium 2-dichlorophosphanylbenzenesulfonate?
The canonical SMILES for lithium 2-dichlorophosphanylbenzenesulfonate is O=S(=O)([O-])c1ccccc1P(Cl)Cl.[Li+].
What is the InChIKey of lithium 2-dichlorophosphanylbenzenesulfonate?
The InChIKey is OPRGUYSUIMCXDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5Cl2O3PS.Li/c7-12(8)5-3-1-2-4-6(5)13(9,10)11;/h1-4H,(H,9,10,11);/q;+1/p-1.
What are the key properties of lithium 2-dichlorophosphanylbenzenesulfonate?
lithium 2-dichlorophosphanylbenzenesulfonate has a molecular weight of 264.98 g/mol, XLogP of -0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-dichlorophosphanylbenzenesulfonate is sourced from PubChem (CID 167508079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).