trisodium;hydride;2-phosphanylbenzenesulfonic acid

C6H10Na3O3PS — CID 173271580

IUPACtrisodium;hydride;2-phosphanylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1P.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H7O3PS.3Na.3H/c7-11(8,9)6-4-2-1-3-5(6)10;;;;;;/h1-4H,10H2,(H,7,8,9);;;;;;/q;3*+1;3*-1
InChIKeyVULXODSEAYSFCE-UHFFFAOYSA-N
MW262.15 g/mol
LogP-8.22
Rot. Bonds1

About trisodium;hydride;2-phosphanylbenzenesulfonic acid

trisodium;hydride;2-phosphanylbenzenesulfonic acid (PubChem CID 173271580) has the molecular formula C6H10Na3O3PS and a molecular weight of 262.15 g/mol. Its IUPAC name is trisodium;hydride;2-phosphanylbenzenesulfonic acid.

Molecular Properties

Compound Nametrisodium;hydride;2-phosphanylbenzenesulfonic acid
PubChem CID173271580
Molecular FormulaC6H10Na3O3PS
Molecular Weight262.15 g/mol
Exact Mass261.98
IUPAC Nametrisodium;hydride;2-phosphanylbenzenesulfonic acid
SMILESO=S(=O)(O)c1ccccc1P.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H7O3PS.3Na.3H/c7-11(8,9)6-4-2-1-3-5(6)10;;;;;;/h1-4H,10H2,(H,7,8,9);;;;;;/q;3*+1;3*-1
InChIKeyVULXODSEAYSFCE-UHFFFAOYSA-N
XLogP-8.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 5-8.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

palladium;2-phosphanylbenzenesulfonic acid
CID 175131812
sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid
CID 175093945
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
potassium;2-chlorobenzenesulfonic acid;hydride
CID 173108093
lithium;9,10-dioxoanthracene-1-sulfonic acid;hydride
CID 174968408
2-methylbenzenesulfonic acid
CID 6925
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
lithium;2-ethenylbenzenesulfonic acid;hydride
CID 173052957
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
2-methylbenzenesulfonic acid;hydroiodide
CID 173271723
2-iodylbenzenesulfonic acid
CID 23357018
2-methylbenzenesulfonic acid;nickel
CID 174250296

Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;2-phosphanylbenzenesulfonic acid?
The IUPAC name of trisodium;hydride;2-phosphanylbenzenesulfonic acid (CID 173271580) is trisodium;hydride;2-phosphanylbenzenesulfonic acid.
What is the SMILES notation for trisodium;hydride;2-phosphanylbenzenesulfonic acid?
The canonical SMILES for trisodium;hydride;2-phosphanylbenzenesulfonic acid is O=S(=O)(O)c1ccccc1P.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;2-phosphanylbenzenesulfonic acid?
The InChIKey is VULXODSEAYSFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O3PS.3Na.3H/c7-11(8,9)6-4-2-1-3-5(6)10;;;;;;/h1-4H,10H2,(H,7,8,9);;;;;;/q;3*+1;3*-1.
What are the key properties of trisodium;hydride;2-phosphanylbenzenesulfonic acid?
trisodium;hydride;2-phosphanylbenzenesulfonic acid has a molecular weight of 262.15 g/mol, XLogP of -8.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;2-phosphanylbenzenesulfonic acid is sourced from PubChem (CID 173271580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).