ethyl sulfate;thulium(3+)

C6H15O12S3Tm — CID 25022214

IUPACethyl sulfate;thulium(3+)
SMILESCCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Tm+3]
InChIInChI=1S/3C2H6O4S.Tm/c3*1-2-6-7(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3
InChIKeyMCFJOFLOLWXYGU-UHFFFAOYSA-K
MW544.31 g/mol
LogP-1.55
Rot. Bonds6

About ethyl sulfate;thulium(3+)

ethyl sulfate;thulium(3+) (PubChem CID 25022214) has the molecular formula C6H15O12S3Tm and a molecular weight of 544.31 g/mol. Its IUPAC name is ethyl sulfate;thulium(3+).

Molecular Properties

Compound Nameethyl sulfate;thulium(3+)
PubChem CID25022214
Molecular FormulaC6H15O12S3Tm
Molecular Weight544.31 g/mol
Exact Mass543.91
IUPAC Nameethyl sulfate;thulium(3+)
SMILESCCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Tm+3]
InChIInChI=1S/3C2H6O4S.Tm/c3*1-2-6-7(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3
InChIKeyMCFJOFLOLWXYGU-UHFFFAOYSA-K
XLogP-1.55
TPSA199.29 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.31
LogP ≤ 5-1.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl sulfate;thulium(3+)?
The IUPAC name of ethyl sulfate;thulium(3+) (CID 25022214) is ethyl sulfate;thulium(3+).
What is the SMILES notation for ethyl sulfate;thulium(3+)?
The canonical SMILES for ethyl sulfate;thulium(3+) is CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].CCOS(=O)(=O)[O-].[Tm+3].
What is the InChIKey of ethyl sulfate;thulium(3+)?
The InChIKey is MCFJOFLOLWXYGU-UHFFFAOYSA-K. The full InChI is InChI=1S/3C2H6O4S.Tm/c3*1-2-6-7(3,4)5;/h3*2H2,1H3,(H,3,4,5);/q;;;+3/p-3.
What are the key properties of ethyl sulfate;thulium(3+)?
ethyl sulfate;thulium(3+) has a molecular weight of 544.31 g/mol, XLogP of -1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl sulfate;thulium(3+) is sourced from PubChem (CID 25022214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).