disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid

C10H10Na2O4S — CID 173012755

IUPACdisodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(O)ccc2c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H8O4S.2Na.2H/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;;;;/h1-6,11H,(H,12,13,14);;;;/q;2*+1;2*-1
InChIKeyCOXATQPFBTYIMQ-UHFFFAOYSA-N
MW272.23 g/mol
LogP-3.97
Rot. Bonds1

About disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid

disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid (PubChem CID 173012755) has the molecular formula C10H10Na2O4S and a molecular weight of 272.23 g/mol. Its IUPAC name is disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid.

Molecular Properties

Compound Namedisodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
PubChem CID173012755
Molecular FormulaC10H10Na2O4S
Molecular Weight272.23 g/mol
Exact Mass272.01
IUPAC Namedisodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc2cc(O)ccc2c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H8O4S.2Na.2H/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;;;;/h1-6,11H,(H,12,13,14);;;;/q;2*+1;2*-1
InChIKeyCOXATQPFBTYIMQ-UHFFFAOYSA-N
XLogP-3.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 5-3.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Dihydroxy-6,6'-dinaphthyldisulfide
CID 22463
Sodium chromotropate
CID 67220
2-Naphthol-6-sulfonic acid
CID 7117
5-Hydroxynaphthalene-1-sulfonamide
CID 87031
2-Naphthol-6-sulfonic acid sodium
CID 23667648
7-Hydroxy-2-naphthalenesulfonic acid
CID 7089
2-Naphthol-3,6-disulfonic acid disodium salt
CID 8673
2-Naphthol-3,6-disulfonic acid
CID 8674
1-Naphthol-3,6-disulfonic acid
CID 43853
1-Naphthalenesulfonic acid, 5-hydroxy-
CID 67025
2-Naphthol-6,8-disulfonic acid
CID 67041
Chromotropic acid
CID 67221

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid?
The IUPAC name of disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid (CID 173012755) is disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid.
What is the SMILES notation for disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid?
The canonical SMILES for disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid is O=S(=O)(O)c1ccc2cc(O)ccc2c1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid?
The InChIKey is COXATQPFBTYIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O4S.2Na.2H/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;;;;/h1-6,11H,(H,12,13,14);;;;/q;2*+1;2*-1.
What are the key properties of disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid?
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid has a molecular weight of 272.23 g/mol, XLogP of -3.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid is sourced from PubChem (CID 173012755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).