2-hydroxy-5-sulfinobenzenediazonium

C6H5N2O3S+ — CID 18720622

IUPAC2-hydroxy-5-sulfinobenzenediazonium
SMILESN#[N+]c1cc(S(=O)O)ccc1O
InChIInChI=1S/C6H4N2O3S/c7-8-5-3-4(12(10)11)1-2-6(5)9/h1-3H,(H-,9,10,11)/p+1
InChIKeyRLWUYCYGLOWLRI-UHFFFAOYSA-O
MW185.18 g/mol
LogP1.46
Rot. Bonds1

About 2-hydroxy-5-sulfinobenzenediazonium

2-hydroxy-5-sulfinobenzenediazonium (PubChem CID 18720622) has the molecular formula C6H5N2O3S+ and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-hydroxy-5-sulfinobenzenediazonium.

Molecular Properties

Compound Name2-hydroxy-5-sulfinobenzenediazonium
PubChem CID18720622
Molecular FormulaC6H5N2O3S+
Molecular Weight185.18 g/mol
Exact Mass185.00
IUPAC Name2-hydroxy-5-sulfinobenzenediazonium
SMILESN#[N+]c1cc(S(=O)O)ccc1O
InChIInChI=1S/C6H4N2O3S/c7-8-5-3-4(12(10)11)1-2-6(5)9/h1-3H,(H-,9,10,11)/p+1
InChIKeyRLWUYCYGLOWLRI-UHFFFAOYSA-O
XLogP1.46
TPSA85.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.46
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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Related Compounds

3-fluoro-4-hydroxybenzenesulfinic acid
CID 143950951
2-hydroxy-5-sulfamoylbenzenediazonium chloride
CID 14534997
3-(3,5-dimethylphenyl)-4-hydroxybenzenesulfinic acid
CID 174500064
4-aminobenzene-1,3-disulfinic acid
CID 175010618
4-amino-3-fluorobenzenesulfinic acid
CID 57017127
5-cyano-2-hydroxybenzenesulfinic acid
CID 23020717
2-hydroxy-5-sulfinonaphthalene-1-diazonium
CID 59288659
4-chloro-3-fluorobenzenesulfinic acid
CID 67275217
6-sulfinonaphthalene-2-sulfinate
CID 59930954
3-amino-4-ethenylbenzenesulfinic acid
CID 56982517
2,3-dihydro-1H-indene-5-sulfinic acid
CID 22503835
phthalazine-6-sulfinic acid
CID 67247671

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-sulfinobenzenediazonium?
The IUPAC name of 2-hydroxy-5-sulfinobenzenediazonium (CID 18720622) is 2-hydroxy-5-sulfinobenzenediazonium.
What is the SMILES notation for 2-hydroxy-5-sulfinobenzenediazonium?
The canonical SMILES for 2-hydroxy-5-sulfinobenzenediazonium is N#[N+]c1cc(S(=O)O)ccc1O.
What is the InChIKey of 2-hydroxy-5-sulfinobenzenediazonium?
The InChIKey is RLWUYCYGLOWLRI-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H4N2O3S/c7-8-5-3-4(12(10)11)1-2-6(5)9/h1-3H,(H-,9,10,11)/p+1.
What are the key properties of 2-hydroxy-5-sulfinobenzenediazonium?
2-hydroxy-5-sulfinobenzenediazonium has a molecular weight of 185.18 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-sulfinobenzenediazonium is sourced from PubChem (CID 18720622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).