trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)

C15H33Na3O15S5 — CID 173239451

IUPACtrisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
SMILESC=CCS(=O)(=O)O.C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/5C3H6O3S.3Na.3H/c5*1-2-3-7(4,5)6;;;;;;/h5*2H,1,3H2,(H,4,5,6);;;;;;/q;;;;;3*+1;3*-1
InChIKeyYSFXTJHVUZCWHY-UHFFFAOYSA-N
MW682.72 g/mol
LogP-8.35
Rot. Bonds10

About trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)

trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid) (PubChem CID 173239451) has the molecular formula C15H33Na3O15S5 and a molecular weight of 682.72 g/mol. Its IUPAC name is trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid).

Molecular Properties

Compound Nametrisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
PubChem CID173239451
Molecular FormulaC15H33Na3O15S5
Molecular Weight682.72 g/mol
Exact Mass682.01
IUPAC Nametrisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)
SMILESC=CCS(=O)(=O)O.C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/5C3H6O3S.3Na.3H/c5*1-2-3-7(4,5)6;;;;;;/h5*2H,1,3H2,(H,4,5,6);;;;;;/q;;;;;3*+1;3*-1
InChIKeyYSFXTJHVUZCWHY-UHFFFAOYSA-N
XLogP-8.35
TPSA271.85 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.72
LogP ≤ 5-8.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)?
The IUPAC name of trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid) (CID 173239451) is trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid).
What is the SMILES notation for trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)?
The canonical SMILES for trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid) is C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.C=CCS(=O)(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)?
The InChIKey is YSFXTJHVUZCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/5C3H6O3S.3Na.3H/c5*1-2-3-7(4,5)6;;;;;;/h5*2H,1,3H2,(H,4,5,6);;;;;;/q;;;;;3*+1;3*-1.
What are the key properties of trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid)?
trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid) has a molecular weight of 682.72 g/mol, XLogP of -8.35, 10 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;pentakis(prop-2-ene-1-sulfonic acid) is sourced from PubChem (CID 173239451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).