lanthanum;phosphanyl 2-phenylethenesulfonate

C8H9LaO3PS — CID 175140449

IUPAClanthanum;phosphanyl 2-phenylethenesulfonate
SMILESO=S(=O)(C=Cc1ccccc1)OP.[La]
InChIInChI=1S/C8H9O3PS.La/c9-13(10,11-12)7-6-8-4-2-1-3-5-8;/h1-7H,12H2;
InChIKeyHXSUSDLCWRLSOU-UHFFFAOYSA-N
MW355.10 g/mol
LogP1.79
Rot. Bonds3

About lanthanum;phosphanyl 2-phenylethenesulfonate

lanthanum;phosphanyl 2-phenylethenesulfonate (PubChem CID 175140449) has the molecular formula C8H9LaO3PS and a molecular weight of 355.10 g/mol. Its IUPAC name is lanthanum;phosphanyl 2-phenylethenesulfonate.

Molecular Properties

Compound Namelanthanum;phosphanyl 2-phenylethenesulfonate
PubChem CID175140449
Molecular FormulaC8H9LaO3PS
Molecular Weight355.10 g/mol
Exact Mass354.91
IUPAC Namelanthanum;phosphanyl 2-phenylethenesulfonate
SMILESO=S(=O)(C=Cc1ccccc1)OP.[La]
InChIInChI=1S/C8H9O3PS.La/c9-13(10,11-12)7-6-8-4-2-1-3-5-8;/h1-7H,12H2;
InChIKeyHXSUSDLCWRLSOU-UHFFFAOYSA-N
XLogP1.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carboxy 2-phenylethenesulfonate
CID 174718044
disodium;ethenylsulfonyl 2-phenylethenesulfonate;hydride
CID 175553273
(4-phenoxyphenyl) 2-phenylethenesulfonate
CID 4208606
ethenyl 2-phenylethenesulfonate;styrene
CID 174440573
sodium;hydride;propyl 2-phenylethenesulfonate
CID 174467762
ethyl 2-phenylethenesulfonate;toluene
CID 162188336
[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
CID 161089433
CID 161089433
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
(2-methylpropan-2-yl)oxycarbonyl 2-phenylethenesulfonate
CID 57257063
hydride;2-phenylethenesulfonic acid;rubidium(1+)
CID 173085855
CID 159387083
CID 159387083

Frequently Asked Questions

What is the IUPAC name of lanthanum;phosphanyl 2-phenylethenesulfonate?
The IUPAC name of lanthanum;phosphanyl 2-phenylethenesulfonate (CID 175140449) is lanthanum;phosphanyl 2-phenylethenesulfonate.
What is the SMILES notation for lanthanum;phosphanyl 2-phenylethenesulfonate?
The canonical SMILES for lanthanum;phosphanyl 2-phenylethenesulfonate is O=S(=O)(C=Cc1ccccc1)OP.[La].
What is the InChIKey of lanthanum;phosphanyl 2-phenylethenesulfonate?
The InChIKey is HXSUSDLCWRLSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3PS.La/c9-13(10,11-12)7-6-8-4-2-1-3-5-8;/h1-7H,12H2;.
What are the key properties of lanthanum;phosphanyl 2-phenylethenesulfonate?
lanthanum;phosphanyl 2-phenylethenesulfonate has a molecular weight of 355.10 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;phosphanyl 2-phenylethenesulfonate is sourced from PubChem (CID 175140449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).