7-aminonaphthalene-1,3-disulfinic acid

C10H9NO4S2 — CID 68754272

IUPAC7-aminonaphthalene-1,3-disulfinic acid
SMILESNc1ccc2cc(S(=O)O)cc(S(=O)O)c2c1
InChIInChI=1S/C10H9NO4S2/c11-7-2-1-6-3-8(16(12)13)5-10(17(14)15)9(6)4-7/h1-5H,11H2,(H,12,13)(H,14,15)
InChIKeyFBNYEOMKFOYDSH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.58
Rot. Bonds2

About 7-aminonaphthalene-1,3-disulfinic acid

7-aminonaphthalene-1,3-disulfinic acid (PubChem CID 68754272) has the molecular formula C10H9NO4S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 7-aminonaphthalene-1,3-disulfinic acid.

Molecular Properties

Compound Name7-aminonaphthalene-1,3-disulfinic acid
PubChem CID68754272
Molecular FormulaC10H9NO4S2
Molecular Weight271.32 g/mol
Exact Mass271.00
IUPAC Name7-aminonaphthalene-1,3-disulfinic acid
SMILESNc1ccc2cc(S(=O)O)cc(S(=O)O)c2c1
InChIInChI=1S/C10H9NO4S2/c11-7-2-1-6-3-8(16(12)13)5-10(17(14)15)9(6)4-7/h1-5H,11H2,(H,12,13)(H,14,15)
InChIKeyFBNYEOMKFOYDSH-UHFFFAOYSA-N
XLogP1.58
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-aminonaphthalene-1,3-disulfinic acid?
The IUPAC name of 7-aminonaphthalene-1,3-disulfinic acid (CID 68754272) is 7-aminonaphthalene-1,3-disulfinic acid.
What is the SMILES notation for 7-aminonaphthalene-1,3-disulfinic acid?
The canonical SMILES for 7-aminonaphthalene-1,3-disulfinic acid is Nc1ccc2cc(S(=O)O)cc(S(=O)O)c2c1.
What is the InChIKey of 7-aminonaphthalene-1,3-disulfinic acid?
The InChIKey is FBNYEOMKFOYDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S2/c11-7-2-1-6-3-8(16(12)13)5-10(17(14)15)9(6)4-7/h1-5H,11H2,(H,12,13)(H,14,15).
What are the key properties of 7-aminonaphthalene-1,3-disulfinic acid?
7-aminonaphthalene-1,3-disulfinic acid has a molecular weight of 271.32 g/mol, XLogP of 1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminonaphthalene-1,3-disulfinic acid is sourced from PubChem (CID 68754272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).