(8-nitrosonaphthalen-1-yl) hydrogen sulfite

C10H7NO4S — CID 174909507

IUPAC(8-nitrosonaphthalen-1-yl) hydrogen sulfite
SMILESO=Nc1cccc2cccc(OS(=O)O)c12
InChIInChI=1S/C10H7NO4S/c12-11-8-5-1-3-7-4-2-6-9(10(7)8)15-16(13)14/h1-6H,(H,13,14)
InChIKeyRKNPKCNTNIPXCJ-UHFFFAOYSA-N
MW237.24 g/mol
LogP2.75
Rot. Bonds3

About (8-nitrosonaphthalen-1-yl) hydrogen sulfite

(8-nitrosonaphthalen-1-yl) hydrogen sulfite (PubChem CID 174909507) has the molecular formula C10H7NO4S and a molecular weight of 237.24 g/mol. Its IUPAC name is (8-nitrosonaphthalen-1-yl) hydrogen sulfite.

Molecular Properties

Compound Name(8-nitrosonaphthalen-1-yl) hydrogen sulfite
PubChem CID174909507
Molecular FormulaC10H7NO4S
Molecular Weight237.24 g/mol
Exact Mass237.01
IUPAC Name(8-nitrosonaphthalen-1-yl) hydrogen sulfite
SMILESO=Nc1cccc2cccc(OS(=O)O)c12
InChIInChI=1S/C10H7NO4S/c12-11-8-5-1-3-7-4-2-6-9(10(7)8)15-16(13)14/h1-6H,(H,13,14)
InChIKeyRKNPKCNTNIPXCJ-UHFFFAOYSA-N
XLogP2.75
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[8-(2-aminoethylamino)naphthalen-1-yl] hydrogen sulfite
CID 118958952
(2-ethyl-3-methylphenyl) hydrogen sulfite
CID 68928017
(5-iodonaphthalen-1-yl) hydrogen sulfite
CID 174380050
1-(2-nitrosophenoxy)naphthalene
CID 154946656
(5-propan-2-ylnaphthalen-1-yl) hydrogen sulfite
CID 146276425
(8-phenylnaphthalen-1-yl) sulfite
CID 175356510
(2-propylphenyl) hydrogen sulfite
CID 141345430
(2-hydroxynaphthalen-1-yl) hydrogen sulfite
CID 57100995
magnesium;hydride;naphthalen-1-yl sulfite
CID 174653300
sodium;hydride;phenyl hydrogen sulfite
CID 174520847
(2-octylphenyl) hydrogen sulfite
CID 21399380
[fluoro(pyren-1-yl)methyl] hydrogen sulfite
CID 174847179

Frequently Asked Questions

What is the IUPAC name of (8-nitrosonaphthalen-1-yl) hydrogen sulfite?
The IUPAC name of (8-nitrosonaphthalen-1-yl) hydrogen sulfite (CID 174909507) is (8-nitrosonaphthalen-1-yl) hydrogen sulfite.
What is the SMILES notation for (8-nitrosonaphthalen-1-yl) hydrogen sulfite?
The canonical SMILES for (8-nitrosonaphthalen-1-yl) hydrogen sulfite is O=Nc1cccc2cccc(OS(=O)O)c12.
What is the InChIKey of (8-nitrosonaphthalen-1-yl) hydrogen sulfite?
The InChIKey is RKNPKCNTNIPXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4S/c12-11-8-5-1-3-7-4-2-6-9(10(7)8)15-16(13)14/h1-6H,(H,13,14).
What are the key properties of (8-nitrosonaphthalen-1-yl) hydrogen sulfite?
(8-nitrosonaphthalen-1-yl) hydrogen sulfite has a molecular weight of 237.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-nitrosonaphthalen-1-yl) hydrogen sulfite is sourced from PubChem (CID 174909507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).