naphthalene-1-sulfonic acid;phosphoric acid

C10H11O7PS — CID 157288901

IUPACnaphthalene-1-sulfonic acid;phosphoric acid
SMILESO=P(O)(O)O.O=S(=O)(O)c1cccc2ccccc12
InChIInChI=1S/C10H8O3S.H3O4P/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-5(2,3)4/h1-7H,(H,11,12,13);(H3,1,2,3,4)
InChIKeyBAOIJTZKDFRMJY-UHFFFAOYSA-N
MW306.23 g/mol
LogP1.16
Rot. Bonds1

About naphthalene-1-sulfonic acid;phosphoric acid

naphthalene-1-sulfonic acid;phosphoric acid (PubChem CID 157288901) has the molecular formula C10H11O7PS and a molecular weight of 306.23 g/mol. Its IUPAC name is naphthalene-1-sulfonic acid;phosphoric acid.

Molecular Properties

Compound Namenaphthalene-1-sulfonic acid;phosphoric acid
PubChem CID157288901
Molecular FormulaC10H11O7PS
Molecular Weight306.23 g/mol
Exact Mass306.00
IUPAC Namenaphthalene-1-sulfonic acid;phosphoric acid
SMILESO=P(O)(O)O.O=S(=O)(O)c1cccc2ccccc12
InChIInChI=1S/C10H8O3S.H3O4P/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-5(2,3)4/h1-7H,(H,11,12,13);(H3,1,2,3,4)
InChIKeyBAOIJTZKDFRMJY-UHFFFAOYSA-N
XLogP1.16
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.16
H-Bond Donors ≤ 54
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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Related Compounds

naphthalene-1-sulfonic acid
CID 158712346
CID 87877281
CID 87877281
aluminum naphthalene-1-sulfonic acid
CID 19753639
lithium;hydride;naphthalene-1-sulfonic acid;hydrate
CID 173436914
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
CID 87599032
CID 87599032
methanamine;naphthalene-1-sulfonic acid
CID 174421353
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
CID 174856610
naphthalene-1-sulfonic acid;propan-2-one
CID 159625116
bis(2-methylprop-1-ene);naphthalene-1-sulfonic acid
CID 87267180
naphthalene-1-sulfonic acid;2H-triazole
CID 122441144
CID 172685149
CID 172685149

Frequently Asked Questions

What is the IUPAC name of naphthalene-1-sulfonic acid;phosphoric acid?
The IUPAC name of naphthalene-1-sulfonic acid;phosphoric acid (CID 157288901) is naphthalene-1-sulfonic acid;phosphoric acid.
What is the SMILES notation for naphthalene-1-sulfonic acid;phosphoric acid?
The canonical SMILES for naphthalene-1-sulfonic acid;phosphoric acid is O=P(O)(O)O.O=S(=O)(O)c1cccc2ccccc12.
What is the InChIKey of naphthalene-1-sulfonic acid;phosphoric acid?
The InChIKey is BAOIJTZKDFRMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.H3O4P/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;1-5(2,3)4/h1-7H,(H,11,12,13);(H3,1,2,3,4).
What are the key properties of naphthalene-1-sulfonic acid;phosphoric acid?
naphthalene-1-sulfonic acid;phosphoric acid has a molecular weight of 306.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-sulfonic acid;phosphoric acid is sourced from PubChem (CID 157288901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).