6-diazonio-5-hydroxynaphthalene-1-sulfinate

C10H6N2O3S — CID 97049891

IUPAC6-diazonio-5-hydroxynaphthalene-1-sulfinate
SMILESN#[N+]c1ccc2c(S(=O)[O-])cccc2c1O
InChIInChI=1S/C10H6N2O3S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)16(14)15/h1-5H,(H-,13,14,15)
InChIKeyDVIXSWKZXZDWNZ-UHFFFAOYSA-N
MW234.24 g/mol
LogP2.27
Rot. Bonds1

About 6-diazonio-5-hydroxynaphthalene-1-sulfinate

6-diazonio-5-hydroxynaphthalene-1-sulfinate (PubChem CID 97049891) has the molecular formula C10H6N2O3S and a molecular weight of 234.24 g/mol. Its IUPAC name is 6-diazonio-5-hydroxynaphthalene-1-sulfinate.

Molecular Properties

Compound Name6-diazonio-5-hydroxynaphthalene-1-sulfinate
PubChem CID97049891
Molecular FormulaC10H6N2O3S
Molecular Weight234.24 g/mol
Exact Mass234.01
IUPAC Name6-diazonio-5-hydroxynaphthalene-1-sulfinate
SMILESN#[N+]c1ccc2c(S(=O)[O-])cccc2c1O
InChIInChI=1S/C10H6N2O3S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)16(14)15/h1-5H,(H-,13,14,15)
InChIKeyDVIXSWKZXZDWNZ-UHFFFAOYSA-N
XLogP2.27
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

phenanthrene-1-sulfinate
CID 57162445
2-hydroxy-5-sulfinonaphthalene-1-diazonium
CID 59288659
calcium bis(2-hydroxy-3-methylbenzenesulfinate)
CID 118541671
sodium 4-amino-5-hydroxynaphthalene-1-sulfinate
CID 140800461
CID 87135546
CID 87135546
9,10-dihydroxyanthracene-1-diazonium
CID 90949542
5-[4-[4-(6-diazonio-5-hydroxynaphthalen-1-yl)sulfonyloxybenzoyl]phenoxy]sulfonyl-1-hydroxynaphthalene-2-diazonium
CID 14670443
sodium 3-diazonio-4-hydroxynaphthalene-1-sulfonate
CID 23707139
5-[(4-ethenylphenyl)sulfamoyl]-1-hydroxynaphthalene-2-diazonium
CID 6454442
3-amino-1,4-dihydroxynaphthalene-2-sulfinate
CID 148794117
3-amino-2,4-dihydroxynaphthalene-1-sulfinate
CID 171396608
sodium 5-decylnaphthalene-1-sulfinate
CID 23706322

Frequently Asked Questions

What is the IUPAC name of 6-diazonio-5-hydroxynaphthalene-1-sulfinate?
The IUPAC name of 6-diazonio-5-hydroxynaphthalene-1-sulfinate (CID 97049891) is 6-diazonio-5-hydroxynaphthalene-1-sulfinate.
What is the SMILES notation for 6-diazonio-5-hydroxynaphthalene-1-sulfinate?
The canonical SMILES for 6-diazonio-5-hydroxynaphthalene-1-sulfinate is N#[N+]c1ccc2c(S(=O)[O-])cccc2c1O.
What is the InChIKey of 6-diazonio-5-hydroxynaphthalene-1-sulfinate?
The InChIKey is DVIXSWKZXZDWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O3S/c11-12-8-5-4-6-7(10(8)13)2-1-3-9(6)16(14)15/h1-5H,(H-,13,14,15).
What are the key properties of 6-diazonio-5-hydroxynaphthalene-1-sulfinate?
6-diazonio-5-hydroxynaphthalene-1-sulfinate has a molecular weight of 234.24 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazonio-5-hydroxynaphthalene-1-sulfinate is sourced from PubChem (CID 97049891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).