disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid

C10H12Na2O7S2 — CID 174856610

IUPACdisodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
SMILESO=S(=O)(O)O.O=S(=O)(O)c1cccc2ccccc12.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H8O3S.2Na.H2O4S.2H/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);;;(H2,1,2,3,4);;/q;2*+1;;2*-1
InChIKeyAVQUCGJPCOZOAW-UHFFFAOYSA-N
MW354.31 g/mol
LogP-4.33
Rot. Bonds1

About disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid

disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid (PubChem CID 174856610) has the molecular formula C10H12Na2O7S2 and a molecular weight of 354.31 g/mol. Its IUPAC name is disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid.

Molecular Properties

Compound Namedisodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
PubChem CID174856610
Molecular FormulaC10H12Na2O7S2
Molecular Weight354.31 g/mol
Exact Mass353.98
IUPAC Namedisodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid
SMILESO=S(=O)(O)O.O=S(=O)(O)c1cccc2ccccc12.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H8O3S.2Na.H2O4S.2H/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);;;(H2,1,2,3,4);;/q;2*+1;;2*-1
InChIKeyAVQUCGJPCOZOAW-UHFFFAOYSA-N
XLogP-4.33
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 5-4.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid?
The IUPAC name of disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid (CID 174856610) is disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid.
What is the SMILES notation for disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid?
The canonical SMILES for disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid is O=S(=O)(O)O.O=S(=O)(O)c1cccc2ccccc12.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid?
The InChIKey is AVQUCGJPCOZOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.2Na.H2O4S.2H/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);;;(H2,1,2,3,4);;/q;2*+1;;2*-1.
What are the key properties of disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid?
disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid has a molecular weight of 354.31 g/mol, XLogP of -4.33, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydride;naphthalene-1-sulfonic acid;sulfuric acid is sourced from PubChem (CID 174856610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).