lithium (2,4-dinitrophenyl) sulfite

C6H3LiN2O7S — CID 175163574

IUPAClithium (2,4-dinitrophenyl) sulfite
SMILESO=[N+]([O-])c1ccc(OS(=O)[O-])c([N+](=O)[O-])c1.[Li+]
InChIInChI=1S/C6H4N2O7S.Li/c9-7(10)4-1-2-6(15-16(13)14)5(3-4)8(11)12;/h1-3H,(H,13,14);/q;+1/p-1
InChIKeyNESHEOWQHQDILV-UHFFFAOYSA-M
MW254.10 g/mol
LogP-2.32
Rot. Bonds4

About lithium (2,4-dinitrophenyl) sulfite

lithium (2,4-dinitrophenyl) sulfite (PubChem CID 175163574) has the molecular formula C6H3LiN2O7S and a molecular weight of 254.10 g/mol. Its IUPAC name is lithium (2,4-dinitrophenyl) sulfite.

Molecular Properties

Compound Namelithium (2,4-dinitrophenyl) sulfite
PubChem CID175163574
Molecular FormulaC6H3LiN2O7S
Molecular Weight254.10 g/mol
Exact Mass253.98
IUPAC Namelithium (2,4-dinitrophenyl) sulfite
SMILESO=[N+]([O-])c1ccc(OS(=O)[O-])c([N+](=O)[O-])c1.[Li+]
InChIInChI=1S/C6H4N2O7S.Li/c9-7(10)4-1-2-6(15-16(13)14)5(3-4)8(11)12;/h1-3H,(H,13,14);/q;+1/p-1
InChIKeyNESHEOWQHQDILV-UHFFFAOYSA-M
XLogP-2.32
TPSA135.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 5-2.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

potassium (2-chloro-5-nitrophenyl) sulfite
CID 175273368
1,4-bis(2,4-dinitrophenoxy)-2,3-dimethylbenzene
CID 141163009
(5-nitro-2-piperidin-1-ylphenyl) sulfite
CID 57251043
(2,4-dinitrophenoxy)-iodo-methyl-λ3-iodane
CID 163826627
(2,4-dinitrophenyl) thiophene-2-sulfonate
CID 13159815
2-(2,5-dinitrophenoxy)-1,4-dinitrobenzene
CID 139890648
1-(2-fluorophenoxy)-2,4-dinitrobenzene
CID 9212888
(2,4-dinitrophenyl) 2-aminoacetate
CID 25182265
3-(2,4-dinitrophenoxy)benzene-1,2-diol
CID 174671523
1-(4-bromobutoxy)-2,4-dinitrobenzene
CID 139648984
2-(2,4-dinitrophenoxy)acetyl chloride
CID 15133534
1-dodecoxy-2,4-dinitrobenzene
CID 101149819

Frequently Asked Questions

What is the IUPAC name of lithium (2,4-dinitrophenyl) sulfite?
The IUPAC name of lithium (2,4-dinitrophenyl) sulfite (CID 175163574) is lithium (2,4-dinitrophenyl) sulfite.
What is the SMILES notation for lithium (2,4-dinitrophenyl) sulfite?
The canonical SMILES for lithium (2,4-dinitrophenyl) sulfite is O=[N+]([O-])c1ccc(OS(=O)[O-])c([N+](=O)[O-])c1.[Li+].
What is the InChIKey of lithium (2,4-dinitrophenyl) sulfite?
The InChIKey is NESHEOWQHQDILV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4N2O7S.Li/c9-7(10)4-1-2-6(15-16(13)14)5(3-4)8(11)12;/h1-3H,(H,13,14);/q;+1/p-1.
What are the key properties of lithium (2,4-dinitrophenyl) sulfite?
lithium (2,4-dinitrophenyl) sulfite has a molecular weight of 254.10 g/mol, XLogP of -2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2,4-dinitrophenyl) sulfite is sourced from PubChem (CID 175163574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).