2-hydroxy-5-sulfinonaphthalene-1-diazonium

C10H7N2O3S+ — CID 59288659

IUPAC2-hydroxy-5-sulfinonaphthalene-1-diazonium
SMILESN#[N+]c1c(O)ccc2c(S(=O)O)cccc12
InChIInChI=1S/C10H6N2O3S/c11-12-10-7-2-1-3-9(16(14)15)6(7)4-5-8(10)13/h1-5H,(H-,13,14,15)/p+1
InChIKeyCXMHBMVPSOAKLC-UHFFFAOYSA-O
MW235.24 g/mol
LogP2.61
Rot. Bonds1

About 2-hydroxy-5-sulfinonaphthalene-1-diazonium

2-hydroxy-5-sulfinonaphthalene-1-diazonium (PubChem CID 59288659) has the molecular formula C10H7N2O3S+ and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-hydroxy-5-sulfinonaphthalene-1-diazonium.

Molecular Properties

Compound Name2-hydroxy-5-sulfinonaphthalene-1-diazonium
PubChem CID59288659
Molecular FormulaC10H7N2O3S+
Molecular Weight235.24 g/mol
Exact Mass235.02
IUPAC Name2-hydroxy-5-sulfinonaphthalene-1-diazonium
SMILESN#[N+]c1c(O)ccc2c(S(=O)O)cccc12
InChIInChI=1S/C10H6N2O3S/c11-12-10-7-2-1-3-9(16(14)15)6(7)4-5-8(10)13/h1-5H,(H-,13,14,15)/p+1
InChIKeyCXMHBMVPSOAKLC-UHFFFAOYSA-O
XLogP2.61
TPSA85.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-sulfinonaphthalene-1-diazonium?
The IUPAC name of 2-hydroxy-5-sulfinonaphthalene-1-diazonium (CID 59288659) is 2-hydroxy-5-sulfinonaphthalene-1-diazonium.
What is the SMILES notation for 2-hydroxy-5-sulfinonaphthalene-1-diazonium?
The canonical SMILES for 2-hydroxy-5-sulfinonaphthalene-1-diazonium is N#[N+]c1c(O)ccc2c(S(=O)O)cccc12.
What is the InChIKey of 2-hydroxy-5-sulfinonaphthalene-1-diazonium?
The InChIKey is CXMHBMVPSOAKLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H6N2O3S/c11-12-10-7-2-1-3-9(16(14)15)6(7)4-5-8(10)13/h1-5H,(H-,13,14,15)/p+1.
What are the key properties of 2-hydroxy-5-sulfinonaphthalene-1-diazonium?
2-hydroxy-5-sulfinonaphthalene-1-diazonium has a molecular weight of 235.24 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-sulfinonaphthalene-1-diazonium is sourced from PubChem (CID 59288659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).